UCSF

ZINC23039895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 4.96 12.45 -42.01 2 3 1 34 395.523 6
Hi High (pH 8-9.5) 4.96 10.74 -12.2 1 3 0 32 394.515 6

Activity (Go SEA)

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