UCSF

ZINC15937411

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 25 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) 3.92 11.94 -32.63 2 5 1 56 348.442 7
Hi High (pH 8-9.5) 3.92 10.35 -7.55 1 5 0 54 347.434 6
Mid Mid (pH 6-8) 3.92 10.94 -35.82 2 5 1 56 348.442 6

Activity (Go SEA)

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

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