UCSF

ZINC07050446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 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) 2.24 3.65 -59.41 1 6 -1 94 314.346 4
Mid Mid (pH 6-8) 2.24 3.56 -53.55 1 6 -1 94 314.346 4
Mid Mid (pH 6-8) 2.24 3.51 -16.31 2 6 0 92 315.354 4
Mid Mid (pH 6-8) 2.24 3.53 -20.61 2 6 0 92 315.354 4

Activity (Go SEA)

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