UCSF

ZINC13594501

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) 2.70 6.46 -52.95 3 7 1 80 376.525 7
Mid Mid (pH 6-8) 2.89 3.96 -51.15 2 7 0 87 375.517 7

Activity (Go SEA)

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