UCSF

ZINC34653220

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 15 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) 0.71 2.72 -9 3 4 0 68 205.261 4
Lo Low (pH 4.5-6) 0.71 3.06 -34.92 4 4 1 69 206.269 4

Activity (Go SEA)

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