UCSF

ZINC44744031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 24 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) 2.23 5.2 -37.51 3 6 1 66 341.52 9
Mid Mid (pH 6-8) 2.23 3.06 -10.44 2 6 0 65 340.512 9
Mid Mid (pH 6-8) 2.23 5.24 -36.59 3 6 1 66 341.52 9

Activity (Go SEA)

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