UCSF

ZINC40954290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 15 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) 1.99 4.77 -37.27 2 4 1 52 216.301 7
Mid Mid (pH 6-8) 1.99 3.56 -5.43 1 4 0 48 215.293 7

Activity (Go SEA)

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