UCSF

ZINC37488225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 21 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) 4.38 11.02 -56.99 2 2 1 40 297.809 5
Mid Mid (pH 6-8) 4.38 10.11 -5.99 1 2 0 36 296.801 5

Activity (Go SEA)

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