UCSF

ZINC34868152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.92 9.11 -6.77 1 3 0 38 285.416 2
Lo Low (pH 4.5-6) 3.92 9.57 -27.98 2 3 1 39 286.424 2

Activity (Go SEA)

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