UCSF

ZINC39702548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 24 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) 1.93 4.78 -46.66 2 6 1 55 334.44 5
Mid Mid (pH 6-8) 1.93 2.41 -11.6 1 6 0 54 333.432 5
Mid Mid (pH 6-8) 1.93 4.82 -44.25 2 6 1 55 334.44 5

Activity (Go SEA)

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