UCSF

ZINC37853741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.65 1.36 -11.39 2 5 0 68 239.271 8
Mid Mid (pH 6-8) 0.65 2.79 -50.01 3 5 1 72 240.279 8

Activity (Go SEA)

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