UCSF

ZINC19996609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 2.71 7.61 -39.05 1 3 1 21 247.362 6
Hi High (pH 8-9.5) 2.71 5.09 -5.36 0 3 0 20 246.354 6
Mid Mid (pH 6-8) 2.71 7.31 -36.28 1 3 1 21 247.362 6
Mid Mid (pH 6-8) 2.71 9.69 -105.02 2 3 2 22 248.37 6

Activity (Go SEA)

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