UCSF

ZINC34464218

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 3.63 7.68 -46.06 1 3 -1 60 229.34 10
Lo Low (pH 4.5-6) 3.63 5.69 -8.06 2 3 0 58 230.348 10

Activity (Go SEA)

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