UCSF

ZINC01622620

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 No

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) 3.07 3.63 -10.95 2 4 0 66 264.284 2
Hi High (pH 8-9.5) 2.61 5.37 -49.52 1 4 -1 69 263.276 1

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

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