UCSF

ZINC43426464

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) 3.64 7.57 -7.11 0 3 0 30 287.403 4
Lo Low (pH 4.5-6) 3.64 9.71 -37.28 1 3 1 31 288.411 4

Activity (Go SEA)

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