UCSF

ZINC34667237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 1.34 0.48 -9.08 1 6 0 54 372.412 7
Mid Mid (pH 6-8) 1.34 2.74 -44.08 2 6 1 56 373.42 7

Activity (Go SEA)

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