UCSF

ZINC43426463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.86 6.82 -7.47 0 3 0 30 352.272 3
Lo Low (pH 4.5-6) 3.86 9.02 -39.85 1 3 1 31 353.28 3

Activity (Go SEA)

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