UCSF

ZINC16446061

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 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) 3.63 8.09 -10.89 1 3 0 32 254.333 4
Lo Low (pH 4.5-6) 3.63 8.41 -17.91 2 3 0 34 255.341 4

Activity (Go SEA)

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