UCSF

ZINC42913862

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.85 3.33 -122.14 6 4 2 75 251.374 6
Mid Mid (pH 6-8) 0.85 3.03 -37.73 5 4 1 74 250.366 6
Mid Mid (pH 6-8) 0.85 1.94 -51.21 5 4 1 74 250.366 6

Activity (Go SEA)

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