UCSF

ZINC42114127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 0.03 3.44 -7.5 0 5 0 52 296.273 3
Mid Mid (pH 6-8) 0.03 5.72 -42.8 1 5 1 53 297.281 3

Activity (Go SEA)

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