UCSF

ZINC58329606

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 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) 2.69 7.35 -21.79 1 5 0 70 330.428 2
Hi High (pH 8-9.5) 3.14 6.19 -58.43 0 5 -1 73 329.42 2

Activity (Go SEA)

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

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