UCSF

ZINC44686937

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.25 6.7 -37.2 2 5 1 56 279.36 6
Lo Low (pH 4.5-6) 1.25 7.87 -118.77 3 5 2 60 280.368 6
Lo Low (pH 4.5-6) 1.25 5.58 -47.02 2 5 1 59 279.36 6

Activity (Go SEA)

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