UCSF

ZINC37039416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.28 6.06 -101.07 4 5 2 62 273.421 8
Mid Mid (pH 6-8) 1.28 3.86 -46.28 3 5 1 60 272.413 8

Activity (Go SEA)

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