UCSF

ZINC40034731

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 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) 4.59 10.31 -14.93 2 6 0 76 443.547 8
Mid Mid (pH 6-8) 4.59 10.85 -37.61 3 6 1 78 444.555 8

Activity (Go SEA)

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