UCSF

ZINC39555843

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 3.09 10.24 -23.67 2 8 0 102 478.553 4
Hi High (pH 8-9.5) 3.15 8.69 -64.17 1 8 -1 108 477.545 4

Activity (Go SEA)

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