UCSF

ZINC49549005

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 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) 0.83 3.91 -17.97 2 7 0 101 344.367 6
Hi High (pH 8-9.5) 1.29 3.24 -53.55 1 7 -1 104 343.359 6

Activity (Go SEA)

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

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