UCSF

ZINC23283259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 23 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) 3.51 10.23 -100.69 3 3 2 24 319.537 8
Lo Low (pH 4.5-6) 3.51 11.45 -82.02 3 3 2 21 319.537 8

Activity (Go SEA)

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