UCSF

ZINC20126944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.92 5.96 -38.93 2 3 1 29 263.405 6
Hi High (pH 8-9.5) 2.92 5.02 -3.56 1 3 0 24 262.397 6
Mid Mid (pH 6-8) 2.92 8.38 -114.1 3 3 2 30 264.413 6
Mid Mid (pH 6-8) 2.92 7.34 -35.3 2 3 1 26 263.405 6

Activity (Go SEA)

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