UCSF

ZINC00238451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 1.60 6.44 -17.89 2 6 0 88 295.298 4
Hi High (pH 8-9.5) 1.60 7.44 -62.11 1 6 -1 91 294.29 4
Hi High (pH 8-9.5) 1.67 6.91 -50.95 2 6 -1 94 294.29 3

Activity (Go SEA)

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

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