UCSF

ZINC39229197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 3.02 10.67 -10.08 1 5 0 58 352.482 6
Lo Low (pH 4.5-6) 3.02 11.11 -32.68 2 5 1 59 353.49 6

Activity (Go SEA)

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