UCSF

ZINC19919686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 1.59 4.26 -34.81 3 4 1 46 266.34 6
Mid Mid (pH 6-8) 1.59 3.46 -42.72 3 4 1 49 266.34 6
Mid Mid (pH 6-8) 1.59 2.15 -6.73 2 4 0 44 265.332 6
Mid Mid (pH 6-8) 1.59 5.66 -115.69 4 4 2 50 267.348 6

Activity (Go SEA)

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