UCSF

ZINC16609710

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 13 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) 1.56 5.14 -8.82 1 3 0 37 193.275 1
Lo Low (pH 4.5-6) 1.56 5.21 -28.34 2 3 1 39 194.283 1
Lo Low (pH 4.5-6) 1.56 4.61 -26.38 2 3 1 39 194.283 1

Activity (Go SEA)

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