UCSF

ZINC61190600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 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) 3.31 6.35 -37.11 2 4 1 43 310.458 10
Hi High (pH 8-9.5) 3.31 5.3 -6.38 1 4 0 42 309.45 10

Activity (Go SEA)

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