UCSF

ZINC01384342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 No

Other Names:

MFCD03617953

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) 2.21 6.12 -17.14 1 4 0 72 270.723 1

Vendor Notes

Note Type Comments Provided By
melting_point 208 - 210 KeyOrganics

Activity (Go SEA)

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

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