UCSF

ZINC23399052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 28 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) 1.61 5.74 -21.48 2 7 0 103 395.44 4
Hi High (pH 8-9.5) 2.51 4.68 -50.44 1 7 -1 106 394.432 4

Activity (Go SEA)

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