UCSF

ZINC20028171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 22 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) 0.09 5.16 -39.6 3 8 1 85 308.41 4
Mid Mid (pH 6-8) 0.09 5.14 -36.45 3 8 1 85 308.41 4
Mid Mid (pH 6-8) 0.09 2.85 -8.52 2 8 0 84 307.402 4
Lo Low (pH 4.5-6) 0.09 5.61 -87.61 4 8 2 86 309.418 4
Lo Low (pH 4.5-6) 0.09 5.51 -88.78 4 8 2 86 309.418 4

Activity (Go SEA)

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