UCSF

ZINC24002245

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 24 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) 1.95 5.17 -11.51 1 6 0 75 348.472 7
Lo Low (pH 4.5-6) 1.95 5.55 -44.59 2 6 1 76 349.48 7

Activity (Go SEA)

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