UCSF

ZINC42099244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 26 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) 4.48 9.37 -12.43 2 5 0 71 394.834 5
Hi High (pH 8-9.5) 4.48 9.01 -49.47 1 5 -1 69 393.826 5

Activity (Go SEA)

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