UCSF

ZINC12398961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 17 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) -0.26 2.31 -4.46 2 3 0 38 238.306 4
Lo Low (pH 4.5-6) -0.26 4.58 -39.02 3 3 1 40 239.314 4
Lo Low (pH 4.5-6) -0.26 4.88 -129.46 4 3 2 41 240.322 4

Activity (Go SEA)

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