UCSF

ZINC61681217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 17 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) 3.06 6.95 -5.94 3 3 0 55 227.311 2
Mid Mid (pH 6-8) 3.06 7.06 -27.51 4 3 1 56 228.319 2

Activity (Go SEA)

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