UCSF

ZINC67513964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.01 11.06 -90.94 2 5 2 38 385.552 5
Hi High (pH 8-9.5) 3.01 6.07 -10.15 0 5 0 36 383.536 5
Mid Mid (pH 6-8) 3.01 8.76 -41.1 1 5 1 37 384.544 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.