UCSF

ZINC08430877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 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) 2.12 7.16 -43.25 2 4 1 46 304.801 5
Hi High (pH 8-9.5) 2.12 4.69 -6.93 1 4 0 45 303.793 5

Activity (Go SEA)

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