UCSF

ZINC41584315

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

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) 3.28 5.5 -9.01 1 6 0 72 397.471 9
Hi High (pH 8-9.5) 3.28 7.84 -43.37 0 6 -1 75 396.463 9
Mid Mid (pH 6-8) 3.28 8.55 -34.25 1 6 0 76 397.471 9
Mid Mid (pH 6-8) 3.28 7.76 -38.59 2 6 1 73 398.479 9

Activity (Go SEA)

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