UCSF

ZINC26329261

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) 2.63 10.76 -37.82 1 4 1 46 317.416 6
Mid Mid (pH 6-8) 2.63 10.16 -11.95 0 4 0 45 316.408 6
Lo Low (pH 4.5-6) 2.63 12.97 -128.24 2 4 2 47 318.424 6

Activity (Go SEA)

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