UCSF

ZINC01382892

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Other Names:

MFCD04124894

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) 4.45 -0.29 -9.06 1 4 0 51 312.756 3
Lo Low (pH 4.5-6) 4.45 -0.16 -28.65 2 4 1 52 313.764 3

Vendor Notes

Note Type Comments Provided By
melting_point 201 - 203 KeyOrganics

Activity (Go SEA)

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

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