UCSF

ZINC44659164

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 1.04 2.66 -37.84 2 3 1 29 201.334 6
Mid Mid (pH 6-8) 1.04 3.63 -35.11 2 3 1 26 201.334 6

Activity (Go SEA)

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