UCSF

ZINC37873663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) -0.96 -0.14 -13.85 2 6 0 76 213.237 7
Mid Mid (pH 6-8) -0.96 1.18 -52.16 3 6 1 81 214.245 7

Activity (Go SEA)

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