UCSF

ZINC34651127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 2.64 5.94 -90.35 4 4 2 50 279.428 2
Hi High (pH 8-9.5) 2.83 3.68 -52.61 3 4 1 56 278.42 2

Activity (Go SEA)

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