UCSF

ZINC38276434

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 13 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) 0.52 1.96 -6.25 0 3 0 30 183.251 1
Mid Mid (pH 6-8) 0.52 4.39 -41.68 1 3 1 31 184.259 1

Activity (Go SEA)

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