UCSF

ZINC12405779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 20 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) -1.36 -10.92 -13.64 5 9 0 140 281.272 2
Lo Low (pH 4.5-6) -1.36 -10.78 -35.99 6 9 1 141 282.28 2
Lo Low (pH 4.5-6) -1.36 -16.8 -33.66 6 9 1 141 282.28 2

Activity (Go SEA)

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