UCSF

ZINC44676162

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.61 7.21 -130.96 5 2 2 44 234.387 7
Mid Mid (pH 6-8) 2.61 6.91 -39.98 4 2 1 43 233.379 7

Activity (Go SEA)

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