UCSF

ZINC19834227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) -1.00 3.98 -53.53 1 5 1 58 212.273 4
Mid Mid (pH 6-8) -1.00 1.66 -11.96 0 5 0 57 211.265 4

Activity (Go SEA)

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