UCSF

ZINC34426752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 16 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) 0.06 3.75 -49.93 1 6 -1 95 225.224 6
Lo Low (pH 4.5-6) 0.06 1.78 -14.72 2 6 0 92 226.232 6

Activity (Go SEA)

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