UCSF

ZINC37834057

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 1.96 6.85 -37.44 1 4 1 28 349.337 6
Lo Low (pH 4.5-6) 1.96 9.33 -101.87 2 4 2 29 350.345 6
Lo Low (pH 4.5-6) 1.96 6.93 -37.7 1 4 1 28 349.337 6

Activity (Go SEA)

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