UCSF

ZINC39389889

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 20 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) 2.40 7.05 -44 1 4 1 34 274.388 4
Mid Mid (pH 6-8) 2.40 7.3 -42.22 1 4 1 34 274.388 4
Mid Mid (pH 6-8) 2.40 9.53 -120.21 2 4 2 35 275.396 4

Activity (Go SEA)

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