UCSF

ZINC39971986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.74 4 -23.47 1 8 0 96 423.564 6
Mid Mid (pH 6-8) 2.55 3.29 -47.76 0 8 -1 102 422.556 6
Mid Mid (pH 6-8) 2.55 5.56 -47.72 1 8 0 103 423.564 6
Lo Low (pH 4.5-6) 2.74 6.16 -61.37 2 8 1 97 424.572 6

Activity (Go SEA)

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