UCSF

ZINC44513381

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 0.69 1.53 -102.84 4 5 1 81 279.389 3
Mid Mid (pH 6-8) 0.23 4.33 -119.58 5 5 2 78 280.397 3

Activity (Go SEA)

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