UCSF

ZINC07639136

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2006 24 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) 3.57 7.72 -58.84 2 5 1 52 351.785 5
Hi High (pH 8-9.5) 3.39 4.53 -37.57 0 5 -1 57 349.769 5

Activity (Go SEA)

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