UCSF

ZINC44352036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 17 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) 0.90 1.71 -14.54 1 5 0 65 239.319 4
Mid Mid (pH 6-8) 0.90 4.08 -55.8 2 5 1 67 240.327 4

Activity (Go SEA)

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