UCSF

ZINC20319081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) -0.54 5.33 -85.63 1 7 0 83 252.274 2
Mid Mid (pH 6-8) -0.54 2.92 -64.14 0 7 -1 82 251.266 2

Activity (Go SEA)

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