UCSF

ZINC57507780

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 16 Yes

Other Names:

MFCD11844829

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) 2.74 5.51 -7.23 0 4 0 49 220.224 3

Vendor Notes

Note Type Comments Provided By
melting_point 84 - 86 KeyOrganics

Activity (Go SEA)

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

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