UCSF

ZINC49235751

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 17 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) 1.35 3.77 -58.33 1 6 -1 102 275.331 4
Hi High (pH 8-9.5) 0.42 3.28 -108.47 0 6 -2 101 274.323 5

Activity (Go SEA)

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

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