UCSF

ZINC40165707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 20 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) 3.06 7.11 -41.51 2 3 1 29 277.432 6
Mid Mid (pH 6-8) 3.06 7.59 -33.04 2 3 1 26 277.432 6
Lo Low (pH 4.5-6) 3.06 8.98 -122.91 3 3 2 30 278.44 6

Activity (Go SEA)

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