UCSF

ZINC50270003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 14 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) 0.89 2.84 -128.98 5 3 2 53 196.294 5
Mid Mid (pH 6-8) 0.89 1.76 -46.38 4 3 1 49 195.286 5

Activity (Go SEA)

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