UCSF

ZINC22854464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 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) 2.64 6.21 -40.42 2 6 0 77 370.449 6
Hi High (pH 8-9.5) 2.64 3.85 -59.05 1 6 -1 76 369.441 6
Hi High (pH 8-9.5) 2.64 6.19 -55.54 2 6 0 77 370.449 6
Hi High (pH 8-9.5) 2.64 3.62 -45.21 1 6 -1 76 369.441 6
Mid Mid (pH 6-8) 2.64 5.47 -41.34 3 6 1 74 371.457 6
Mid Mid (pH 6-8) 2.64 2.83 -12.1 2 6 0 73 370.449 6
Lo Low (pH 4.5-6) 2.64 5.35 -36.77 3 6 1 74 371.457 6

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

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