UCSF

ZINC19889613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 3.61 10.11 -33.72 1 2 1 8 285.455 3
Hi High (pH 8-9.5) 3.61 7.84 -2.06 0 2 0 6 284.447 3

Activity (Go SEA)

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