UCSF

ZINC69484385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 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) 1.58 5.61 -8.36 1 6 0 81 264.31 5
Hi High (pH 8-9.5) 1.58 5.27 -41.69 0 6 -1 79 263.302 5

Activity (Go SEA)

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

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