UCSF

ZINC62028250

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 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) 2.85 3.92 -14.31 1 4 0 58 309.362 4
Hi High (pH 8-9.5) 2.85 4.69 -48.09 0 4 -1 60 308.354 4

Activity (Go SEA)

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

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