UCSF

ZINC41656257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.63 5.78 -48.65 0 4 -1 56 275.715 1
Mid Mid (pH 6-8) 2.63 8.2 -53.3 1 4 0 57 276.723 1

Activity (Go SEA)

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