UCSF

ZINC40746906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.00 7.16 -37.12 2 3 1 26 275.416 5
Mid Mid (pH 6-8) 3.00 8.44 -103.27 3 3 2 30 276.424 5
Mid Mid (pH 6-8) 3.00 6.17 -38.1 2 3 1 29 275.416 5

Activity (Go SEA)

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