UCSF

ZINC42206991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) -0.23 -0.23 -10 2 4 0 50 184.239 7
Mid Mid (pH 6-8) -0.23 1.14 -44.25 3 4 1 55 185.247 7

Activity (Go SEA)

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