UCSF

ZINC69740555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 26 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) 3.60 11.07 -25.12 0 5 0 59 345.402 4
Mid Mid (pH 6-8) 3.60 10.67 -39.45 1 5 1 60 346.41 4
Mid Mid (pH 6-8) 3.60 11.19 -42.48 1 5 1 60 346.41 4

Activity (Go SEA)

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

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