UCSF

ZINC69562079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 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) 3.20 9.03 -39.89 2 3 1 34 327.37 6
Hi High (pH 8-9.5) 3.20 6.58 -6.2 1 3 0 32 326.362 6

Activity (Go SEA)

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

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