UCSF

ZINC18247449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 33 No

Other Names:

MFCD02020333

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) 3.98 13.82 -14.14 0 9 0 127 450.447 7
Ref Reference (pH 7) 3.98 13.94 -17.12 0 9 0 127 450.447 7

Activity (Go SEA)

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

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