UCSF

ZINC69236755

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 1.80 5.62 -26.23 3 4 1 56 235.355 5
Mid Mid (pH 6-8) 1.80 5.96 -105.41 4 4 2 58 236.363 5
Mid Mid (pH 6-8) 1.80 5.52 -22.22 3 4 1 56 235.355 5
Mid Mid (pH 6-8) 1.80 5.36 -7.87 2 4 0 55 234.347 5
Lo Low (pH 4.5-6) 1.80 5.9 -105.3 4 4 2 58 236.363 5

Activity (Go SEA)

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