UCSF

ZINC39326594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 2.99 9.45 -38.36 1 3 1 41 276.429 4
Hi High (pH 8-9.5) 2.99 6.97 -5.68 0 3 0 40 275.421 4

Activity (Go SEA)

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