UCSF

ZINC51259720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 19 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) 3.17 9.01 -37.97 1 3 1 27 260.357 6
Hi High (pH 8-9.5) 3.17 6.68 -5.7 0 3 0 26 259.349 6

Activity (Go SEA)

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