UCSF

ZINC44722645

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) 1.82 5.83 -37.03 3 4 1 46 268.425 7
Mid Mid (pH 6-8) 1.82 4.54 -37.66 3 4 1 49 268.425 7
Lo Low (pH 4.5-6) 1.82 6.83 -106.36 4 4 2 50 269.433 7

Activity (Go SEA)

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