UCSF

ZINC44727235

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) -1.69 0.65 -10.25 3 5 0 74 252.314 8
Mid Mid (pH 6-8) -1.69 0.97 -45.71 4 5 1 75 253.322 8

Activity (Go SEA)

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