UCSF

ZINC24878554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 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) 2.47 7.19 -106.85 3 4 2 40 316.392 8
Mid Mid (pH 6-8) 2.47 5.9 -37.87 2 4 1 35 315.384 8
Mid Mid (pH 6-8) 2.47 4.78 -39.47 2 4 1 38 315.384 8

Activity (Go SEA)

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