UCSF

ZINC01293353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 16 Yes

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) 1.46 5.45 -36.5 3 4 1 56 217.296 3
Lo Low (pH 4.5-6) 1.46 2.17 -84.4 4 4 2 57 218.304 3

Activity (Go SEA)

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