UCSF

ZINC05711662

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 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) 4.00 10.25 -48.33 0 2 -1 40 237.363 6
Lo Low (pH 4.5-6) 4.00 8.29 -4.29 1 2 0 37 238.371 6

Activity (Go SEA)

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