UCSF

ZINC35098325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 2.47 7.81 -111.45 3 3 2 30 266.429 10
Hi High (pH 8-9.5) 2.47 4.98 -2.67 1 3 0 24 264.413 10
Mid Mid (pH 6-8) 2.47 6.39 -30.95 2 3 1 26 265.421 10
Mid Mid (pH 6-8) 2.47 6.38 -35.22 2 3 1 29 265.421 10

Activity (Go SEA)

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