UCSF

ZINC02866528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 30 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) 5.01 5.9 -58.44 2 7 -1 119 457.534 6
Hi High (pH 8-9.5) 5.01 6.67 -104.83 1 7 -2 122 456.526 6
Hi High (pH 8-9.5) 5.01 5.92 -98.41 1 7 -2 121 456.526 6

Activity (Go SEA)

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

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