UCSF

ZINC63002497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 No

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) 4.58 9.73 -27.05 2 2 1 26 317.503 5
Hi High (pH 8-9.5) 4.58 8.79 -4.66 1 2 0 24 316.495 5

Activity (Go SEA)

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

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