UCSF

ZINC34938286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.20 2.68 -40.15 3 4 1 55 234.36 12
Hi High (pH 8-9.5) 1.20 1.33 -5.85 2 4 0 51 233.352 12

Activity (Go SEA)

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