UCSF

ZINC48990598

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) -0.04 3.35 -14.08 2 6 0 74 264.329 6
Mid Mid (pH 6-8) -0.04 3.77 -37.07 3 6 1 76 265.337 6

Activity (Go SEA)

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