UCSF

ZINC39239942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 20 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) 5.15 8.26 -3.52 1 2 0 21 271.404 4
Lo Low (pH 4.5-6) 5.15 8.84 -36.87 2 2 1 26 272.412 4

Activity (Go SEA)

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