UCSF

ZINC34124990

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 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) 0.60 2.79 -21.6 3 6 0 87 272.308 2
Lo Low (pH 4.5-6) 0.60 3.28 -46.9 4 6 1 88 273.316 2

Activity (Go SEA)

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