UCSF

ZINC42777821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.79 7.31 -57.98 3 3 1 44 296.316 5
Hi High (pH 8-9.5) 2.79 6.86 -8.83 2 3 0 42 295.308 5
Lo Low (pH 4.5-6) 2.79 7.72 -106.63 4 3 2 45 297.324 5

Activity (Go SEA)

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