UCSF

ZINC43896315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.91 9.05 -112.79 3 3 2 30 280.456 9
Mid Mid (pH 6-8) 3.91 7.9 -32.59 2 3 1 26 279.448 9
Mid Mid (pH 6-8) 3.91 7.31 -41.41 2 3 1 29 279.448 9

Activity (Go SEA)

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