UCSF

ZINC00519209

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 4.11 0.72 -12.17 0 3 0 34 260.296 0
Lo Low (pH 4.5-6) 4.11 0.76 -28.45 1 3 1 36 261.304 0

Activity (Go SEA)

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