UCSF

ZINC44722485

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 0.14 3.87 -37.88 2 5 1 46 268.381 4
Lo Low (pH 4.5-6) 0.14 4.88 -112.2 3 5 2 51 269.389 4
Lo Low (pH 4.5-6) 0.14 2.44 -40.58 2 5 1 49 268.381 4

Activity (Go SEA)

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