UCSF

ZINC55933336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2010 22 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) 2.65 6.34 -41.74 2 5 1 50 325.502 6
Hi High (pH 8-9.5) 2.65 4.06 -8.46 1 5 0 48 324.494 6

Activity (Go SEA)

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