UCSF

ZINC48947546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) -0.11 3.05 -39.64 3 4 1 49 265.377 6
Hi High (pH 8-9.5) -0.11 2.4 -5.34 2 4 0 48 264.369 6
Mid Mid (pH 6-8) -0.11 5.13 -124.48 4 4 2 51 266.385 6

Activity (Go SEA)

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

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