UCSF

ZINC29565199

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 22 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) 4.67 6.23 -11.21 2 5 0 71 336.178 3
Mid Mid (pH 6-8) 4.67 6.9 -46.78 1 5 -1 74 335.17 3

Activity (Go SEA)

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