UCSF

ZINC34449575

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) -0.31 -0.87 -47.35 5 4 1 69 183.231 5
Mid Mid (pH 6-8) -0.31 -0.67 -5.71 4 4 0 68 182.223 5
Mid Mid (pH 6-8) -0.31 -0.15 -42.13 5 4 1 72 183.231 5

Activity (Go SEA)

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