UCSF

ZINC67740574

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 0.42 4.58 -51.87 3 7 1 86 334.444 3
Hi High (pH 8-9.5) 0.42 2.66 -13.15 2 7 0 84 333.436 3

Activity (Go SEA)

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

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