UCSF

ZINC35274191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 15 No

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) 2.84 9.31 -102.69 2 2 2 12 214.397 7
Hi High (pH 8-9.5) 2.84 5.49 -0.75 0 2 0 6 212.381 7
Mid Mid (pH 6-8) 2.84 6.07 -29.28 1 2 1 7 213.389 7
Mid Mid (pH 6-8) 2.84 7.34 -31.47 1 2 1 10 213.389 7

Activity (Go SEA)

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