UCSF

ZINC36640492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 Yes

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) 6.54 14.44 -48.89 1 6 1 56 478.638 9
Hi High (pH 8-9.5) 6.54 11.31 -15.58 0 6 0 55 477.63 9

Activity (Go SEA)

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