UCSF

ZINC38208091

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 37 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) 6.79 13.38 -46.3 2 7 1 90 520.524 9
Hi High (pH 8-9.5) 6.79 11.53 -10.52 1 7 0 89 519.516 9
Hi High (pH 8-9.5) 6.79 14.27 -27.21 1 7 0 93 519.516 9

Activity (Go SEA)

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