UCSF

ZINC41706896

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 1.80 5.5 -44.75 3 5 1 57 292.403 3
Mid Mid (pH 6-8) 1.80 3.34 -10.08 2 5 0 56 291.395 3

Activity (Go SEA)

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