UCSF

ZINC34653413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.22 7.49 -42.09 2 3 1 39 255.341 6
Lo Low (pH 4.5-6) 2.22 7.94 -79.56 3 3 2 40 256.349 6

Activity (Go SEA)

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