UCSF

ZINC04144018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 1.96 -1.89 -22.1 1 7 0 74 364.405 4
Lo Low (pH 4.5-6) 1.96 -1.78 -47.78 2 7 1 76 365.413 4

Activity (Go SEA)

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