UCSF

ZINC44626731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 11 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) 1.57 4.47 -35.21 2 3 1 43 160.237 5
Mid Mid (pH 6-8) 1.57 3.31 -5.68 1 3 0 38 159.229 5

Activity (Go SEA)

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