UCSF

ZINC34558584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 2.43 4.02 -9.14 5 6 0 118 323.381 2
Lo Low (pH 4.5-6) 2.43 4.46 -39.15 6 6 1 119 324.389 2

Activity (Go SEA)

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