UCSF

ZINC40735418

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 19 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) 3.42 2.52 -6.11 3 3 0 52 277.751 5
Mid Mid (pH 6-8) 3.42 3.91 -46.86 4 3 1 57 278.759 5

Activity (Go SEA)

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