UCSF

ZINC39963973

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 29 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) 2.69 11.52 -13.9 1 7 0 76 396.422 6
Mid Mid (pH 6-8) 2.69 11.99 -31.44 2 7 1 78 397.43 6

Activity (Go SEA)

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