UCSF

ZINC44258169

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.10 10.68 -15.27 0 5 0 66 347.37 7
Lo Low (pH 4.5-6) 4.10 11.07 -44.95 1 5 1 67 348.378 7

Activity (Go SEA)

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