UCSF

ZINC36852729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.30 3.11 -41.92 3 3 1 40 247.362 2
Mid Mid (pH 6-8) 2.30 4.46 -38.45 3 3 1 37 247.362 2
Lo Low (pH 4.5-6) 2.30 5.49 -111.23 4 3 2 41 248.37 2

Activity (Go SEA)

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