UCSF

ZINC37039153

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) -0.17 0.15 -50.85 3 5 1 68 264.415 7
Mid Mid (pH 6-8) -0.17 2.35 -113.9 4 5 2 69 265.423 7

Activity (Go SEA)

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