UCSF

ZINC66182772

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 26 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) 5.50 12.13 -5.28 1 3 0 24 346.474 9
Lo Low (pH 4.5-6) 5.50 12.73 -37.35 2 3 1 29 347.482 9
Lo Low (pH 4.5-6) 5.50 12.22 -21.34 2 3 0 26 347.482 9

Activity (Go SEA)

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