UCSF

ZINC20070193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.56 3.05 -39.51 2 4 1 42 238.355 6
Hi High (pH 8-9.5) 1.56 1.43 -4.29 1 4 0 37 237.347 6
Mid Mid (pH 6-8) 1.56 4.17 -38.54 2 4 1 39 238.355 6
Mid Mid (pH 6-8) 1.56 4.56 -83.96 3 4 2 40 239.363 6
Lo Low (pH 4.5-6) 1.56 5.25 -112.55 3 4 2 43 239.363 6

Activity (Go SEA)

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