UCSF

ZINC37038573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.53 2.37 -54.75 3 5 1 60 244.359 6
Mid Mid (pH 6-8) -0.53 4.17 -120.8 4 5 2 62 245.367 6

Activity (Go SEA)

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