UCSF

ZINC50065479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 0.28 2.43 -58.42 2 8 1 99 299.351 9
Hi High (pH 8-9.5) 0.09 -0.98 -53.08 0 8 -1 104 297.335 9
Hi High (pH 8-9.5) 0.28 0.17 -22 1 8 0 98 298.343 9

Activity (Go SEA)

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

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