UCSF

ZINC39326136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 10 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) 0.15 -2.72 -7.38 3 3 0 55 150.128 1
Mid Mid (pH 6-8) 0.15 -1.32 -42.15 4 3 1 60 151.136 1

Activity (Go SEA)

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