UCSF

ZINC34626454

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 1.77 0.89 -9.53 4 4 0 71 229.283 1
Lo Low (pH 4.5-6) 1.77 2.16 -40.65 5 4 1 75 230.291 1

Activity (Go SEA)

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