UCSF

ZINC41584107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 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) 3.73 8.97 -41.26 2 5 1 68 339.415 6
Hi High (pH 8-9.5) 3.73 9.75 -24.54 1 5 0 71 338.407 6
Lo Low (pH 4.5-6) 3.73 9.36 -83.03 3 5 2 69 340.423 6

Activity (Go SEA)

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