UCSF

ZINC24977376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 24 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) 2.24 6.62 -50.44 3 5 1 68 346.476 9
Hi High (pH 8-9.5) 2.24 5.2 -9.25 2 5 0 63 345.468 9

Activity (Go SEA)

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