UCSF

ZINC20462726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.83 17.04 -137.78 2 2 2 9 486.544 9
Mid Mid (pH 6-8) 6.83 15.25 -39.21 1 2 1 8 485.536 9
Mid Mid (pH 6-8) 6.83 15.34 -53.4 1 2 1 8 485.536 9

Activity (Go SEA)

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