UCSF

ZINC39225917

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 14 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) 0.97 2.21 -8.79 2 4 0 54 193.25 4
Lo Low (pH 4.5-6) 0.97 2.69 -37.64 3 4 1 55 194.258 4

Activity (Go SEA)

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