UCSF

ZINC34679173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 3.72 14.45 -12.63 0 6 0 53 405.546 3
Lo Low (pH 4.5-6) 3.72 14.83 -29.51 1 6 1 54 406.554 3
Lo Low (pH 4.5-6) 3.72 14.8 -31.45 1 6 1 54 406.554 3

Activity (Go SEA)

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