UCSF

ZINC01391404

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

Other Names:

MFCD00173471

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) 1.71 4.83 -11.19 0 6 0 84 295.224 3
Lo Low (pH 4.5-6) 1.71 4.91 -49.3 1 6 1 85 296.232 3

Vendor Notes

Note Type Comments Provided By
melting_point 116 - 118 KeyOrganics

Activity (Go SEA)

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

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