UCSF

ZINC07913340

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 24 No

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) 3.48 7.75 -54.06 3 5 1 63 350.801 6
Hi High (pH 8-9.5) 3.30 4.61 -48.25 1 5 -1 68 348.785 6
Hi High (pH 8-9.5) 3.30 6.91 -41.36 2 5 0 69 349.793 6

Activity (Go SEA)

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