UCSF

ZINC62939722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 13 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) -1.85 2.88 -51.49 3 8 1 102 181.183 2
Hi High (pH 8-9.5) -1.85 2.49 -7.3 2 8 0 100 180.175 2

Activity (Go SEA)

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

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