UCSF

ZINC13282159

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 25 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) 1.76 8.37 -38.92 4 8 1 95 339.379 2
Mid Mid (pH 6-8) 1.89 8.43 -94.52 5 8 2 94 340.387 2
Mid Mid (pH 6-8) 1.76 7.86 -21.02 3 8 0 94 338.371 2
Lo Low (pH 4.5-6) 1.89 8.49 -29.11 4 8 1 93 339.379 2

Activity (Go SEA)

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