UCSF

ZINC07463314

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 31 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) 3.79 11.41 -39.55 3 7 1 89 424.521 8
Hi High (pH 8-9.5) 3.61 8.52 -53.45 1 7 -1 94 422.505 8
Hi High (pH 8-9.5) 3.79 9.27 -12.17 2 7 0 88 423.513 8

Activity (Go SEA)

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