UCSF

ZINC44722917

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.09 4.22 -35.82 3 4 1 46 238.355 6
Lo Low (pH 4.5-6) 1.09 5.35 -110.78 4 4 2 50 239.363 6
Lo Low (pH 4.5-6) 1.09 2.86 -42.17 3 4 1 49 238.355 6

Activity (Go SEA)

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