UCSF

ZINC42815888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.31 4.83 -37.66 2 5 1 46 284.424 5
Mid Mid (pH 6-8) 0.31 3.76 -41.29 2 5 1 49 284.424 5
Lo Low (pH 4.5-6) 0.31 5.97 -105.37 3 5 2 51 285.432 5

Activity (Go SEA)

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