UCSF

ZINC20179791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.88 4 -41.76 2 3 1 23 246.378 3
Lo Low (pH 4.5-6) 1.88 6.36 -121.53 3 3 2 24 247.386 3
Lo Low (pH 4.5-6) 1.88 4.96 -37.39 2 3 1 20 246.378 3

Activity (Go SEA)

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