UCSF

ZINC66475149

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.29 5.51 -34.46 2 3 1 28 255.426 4
Mid Mid (pH 6-8) 2.29 5.12 -34.31 2 3 1 28 255.426 4
Mid Mid (pH 6-8) 2.29 7.41 -101.12 3 3 2 29 256.434 4

Activity (Go SEA)

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