UCSF

ZINC39226303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 3.42 9.83 -53.28 2 6 1 69 423.533 6
Hi High (pH 8-9.5) 3.42 7.45 -14.28 1 6 0 68 422.525 6

Activity (Go SEA)

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