UCSF

ZINC43261128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.87 3.09 -114.98 5 3 2 52 309.273 6
Hi High (pH 8-9.5) 1.87 0.9 -3.05 3 3 0 49 307.257 6
Hi High (pH 8-9.5) 1.87 1.24 -44.19 4 3 1 51 308.265 6
Mid Mid (pH 6-8) 1.87 2.79 -35.17 4 3 1 51 308.265 6

Activity (Go SEA)

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