UCSF

ZINC69968098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 11 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) 0.62 -0.63 -43.58 2 4 1 52 172.233 2
Hi High (pH 8-9.5) 0.62 -2.06 -7.06 1 4 0 47 171.225 2

Activity (Go SEA)

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

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