UCSF

ZINC49419253

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 21 No

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) 2.20 3.61 -14.78 2 5 0 75 283.283 3
Hi High (pH 8-9.5) 2.20 4.59 -62.96 1 5 -1 78 282.275 3

Activity (Go SEA)

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

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