UCSF

ZINC42768081

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.61 5.68 -4.39 1 2 0 15 272.314 5
Lo Low (pH 4.5-6) 3.61 7.59 -40.04 2 2 1 16 273.322 5

Activity (Go SEA)

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