UCSF

ZINC37103422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.72 4.49 -42.05 4 3 1 57 272.368 4
Hi High (pH 8-9.5) 3.72 3.44 -6.87 3 3 0 52 271.36 4

Activity (Go SEA)

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