UCSF

ZINC43979573

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.34 6.27 -44.84 2 2 1 20 275.338 7
Hi High (pH 8-9.5) 3.34 5.43 -3.17 1 2 0 15 274.33 7
Mid Mid (pH 6-8) 3.34 7.31 -110.26 3 2 2 21 276.346 7
Mid Mid (pH 6-8) 3.34 8.42 -33.71 2 2 1 16 275.338 7

Activity (Go SEA)

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