UCSF

ZINC41584140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.94 11.45 -49.51 2 7 1 90 480.459 10
Hi High (pH 8-9.5) 5.94 12.22 -30.27 1 7 0 93 479.451 10
Hi High (pH 8-9.5) 5.94 9.1 -9.68 1 7 0 89 479.451 10

Activity (Go SEA)

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