UCSF

ZINC01383483

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 32 No

Other Names:

MFCD00232216

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) 6.20 2.28 -12.98 0 4 0 48 419.48 6
Lo Low (pH 4.5-6) 6.20 2.4 -37.13 1 4 1 49 420.488 6

Vendor Notes

Note Type Comments Provided By
melting_point 150 - 152 KeyOrganics

Activity (Go SEA)

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

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