UCSF

ZINC44723003

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 2.21 6.13 -38.54 3 4 1 46 274.388 5
Mid Mid (pH 6-8) 2.21 4.98 -45.46 3 4 1 49 274.388 5
Lo Low (pH 4.5-6) 2.21 7.32 -115.46 4 4 2 50 275.396 5

Activity (Go SEA)

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