UCSF

ZINC34679405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 21 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) 2.31 7.08 -104.71 4 3 2 35 293.499 3
Hi High (pH 8-9.5) 2.31 4.97 -43.48 3 3 1 34 292.491 3

Activity (Go SEA)

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