UCSF

ZINC42590277

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.28 6.98 -31.35 2 2 1 16 227.416 6
Mid Mid (pH 6-8) 3.28 6.45 -35.84 2 2 1 20 227.416 6
Lo Low (pH 4.5-6) 3.28 8.25 -99.81 3 2 2 21 228.424 6

Activity (Go SEA)

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