UCSF

ZINC35234065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) -1.18 -1.75 -17.17 2 7 0 90 280.328 3
Mid Mid (pH 6-8) -0.72 -3.65 -57.45 1 7 -1 93 279.32 3
Lo Low (pH 4.5-6) -1.18 0.56 -46.37 3 7 1 91 281.336 3

Activity (Go SEA)

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