UCSF

ZINC12736388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 24 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) 3.55 8.68 -13.85 1 4 0 55 335.432 4
Lo Low (pH 4.5-6) 3.55 8.96 -41.37 2 4 1 56 336.44 4

Activity (Go SEA)

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