UCSF

ZINC43967713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.32 8.02 -95.92 3 3 2 24 287.451 4
Hi High (pH 8-9.5) 2.32 5.79 -36.37 2 3 1 23 286.443 4
Mid Mid (pH 6-8) 2.32 7.99 -117.18 3 3 2 24 287.451 4
Mid Mid (pH 6-8) 2.32 7.22 -33.87 2 3 1 20 286.443 4

Activity (Go SEA)

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