UCSF

ZINC37805945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 No

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) 1.46 5.73 -47.32 2 3 1 37 273.328 3
Mid Mid (pH 6-8) 1.46 4.62 -14.95 1 3 0 32 272.32 3

Activity (Go SEA)

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