UCSF

ZINC00520174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.56 1.72 -11.46 3 9 0 114 250.218 0
Mid Mid (pH 6-8) -1.56 2.2 -44.47 4 9 1 115 251.226 0

Activity (Go SEA)

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