UCSF

ZINC62968753

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) -1.66 5.62 -66.13 3 5 1 64 256.37 6
Hi High (pH 8-9.5) -1.66 5.03 -36.02 2 5 0 60 255.362 6
Hi High (pH 8-9.5) -1.66 3.22 -37.5 2 5 0 63 255.362 6

Activity (Go SEA)

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

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