UCSF

ZINC22149224

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.49 6.57 -39.41 2 3 1 33 261.389 6
Hi High (pH 8-9.5) 3.49 5.29 -5.46 1 3 0 28 260.381 6
Mid Mid (pH 6-8) 3.49 9.1 -116.59 3 3 2 34 262.397 6
Mid Mid (pH 6-8) 3.49 7.81 -39.45 2 3 1 30 261.389 6

Activity (Go SEA)

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