UCSF

ZINC22854476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 7.02 -40.47 2 6 0 77 384.476 7
Hi High (pH 8-9.5) 3.02 4.68 -59.17 1 6 -1 76 383.468 7
Hi High (pH 8-9.5) 3.02 5.47 -127.08 0 6 -2 79 382.46 7
Hi High (pH 8-9.5) 3.02 4.39 -45.2 1 6 -1 76 383.468 7
Mid Mid (pH 6-8) 3.02 6.13 -40.06 3 6 1 74 385.484 7
Mid Mid (pH 6-8) 3.02 7 -58.04 2 6 0 77 384.476 7
Mid Mid (pH 6-8) 3.02 3.81 -15 2 6 0 73 384.476 7
Lo Low (pH 4.5-6) 3.02 6.15 -36.95 3 6 1 74 385.484 7

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.