UCSF

ZINC19842479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 3.54 8.13 -33.54 1 2 1 8 265.396 5
Hi High (pH 8-9.5) 3.54 6.28 -2 0 2 0 6 264.388 5
Mid Mid (pH 6-8) 3.54 8.66 -41.07 1 2 1 8 265.396 5

Activity (Go SEA)

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