UCSF

ZINC19842346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 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) 4.35 11.65 -35.61 1 2 1 8 309.477 5
Mid Mid (pH 6-8) 4.35 11.98 -36.59 1 2 1 8 309.477 5
Mid Mid (pH 6-8) 4.35 9.65 -2.87 0 2 0 6 308.469 5

Activity (Go SEA)

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