UCSF

ZINC19797654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 1.50 7.48 -135.33 3 5 1 74 253.322 6
Mid Mid (pH 6-8) 1.50 3.94 -73.08 2 5 0 73 252.314 6

Activity (Go SEA)

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