UCSF

ZINC13678657

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 5.59 7.41 -15.93 2 6 0 92 499.441 7
Hi High (pH 8-9.5) 5.59 7.46 -46.06 1 6 -1 94 498.433 7
Hi High (pH 8-9.5) 5.59 7.47 -45.36 1 6 -1 94 498.433 7
Hi High (pH 8-9.5) 5.59 7.52 -97.7 0 6 -2 96 497.425 7

Activity (Go SEA)

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

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