UCSF

ZINC39387578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 12 Yes

Other Names:

MFCD00462745

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) 0.00 0.62 -43.76 3 3 1 52 162.216 2
Hi High (pH 8-9.5) 0.00 0.23 -6.81 2 3 0 51 161.208 2

Activity (Go SEA)

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

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