UCSF

ZINC67724735

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 18 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) 2.29 8.01 -37.43 2 3 1 34 300.498 3
Mid Mid (pH 6-8) 2.29 6.93 -8.79 1 3 0 29 299.49 3

Activity (Go SEA)

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

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