UCSF

ZINC62030914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 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) 2.84 6.73 -35.43 2 3 1 26 277.432 7
Hi High (pH 8-9.5) 2.84 8.16 -34.36 2 3 1 29 277.432 7
Hi High (pH 8-9.5) 2.84 6.16 -2.54 1 3 0 24 276.424 7

Activity (Go SEA)

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

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