UCSF

ZINC20283997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 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) -0.93 0.34 -6.34 3 3 0 55 182.61 0
Mid Mid (pH 6-8) -0.93 0.59 -50.15 4 3 1 57 183.618 0
Mid Mid (pH 6-8) -0.93 0.65 -48.4 4 3 1 57 183.618 0

Activity (Go SEA)

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