UCSF

ZINC39911514

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.59 5.66 -10.72 3 7 0 99 419.481 7
Hi High (pH 8-9.5) 3.36 6.04 -48.88 1 7 -1 98 418.473 7
Hi High (pH 8-9.5) 3.36 5.6 -58.25 1 7 -1 98 418.473 7
Hi High (pH 8-9.5) 3.59 6.39 -42.99 2 7 -1 102 418.473 7

Activity (Go SEA)

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