UCSF

ZINC42460297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.49 3.51 -3.48 1 3 0 24 234.343 5
Lo Low (pH 4.5-6) 1.49 4.81 -34.23 2 3 1 29 235.351 5
Lo Low (pH 4.5-6) 1.49 6.7 -116.3 3 3 2 30 236.359 5

Activity (Go SEA)

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