UCSF

ZINC01396734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 22 Yes

Other Names:

MFCD01936440

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.51 -0.62 -39.12 1 5 1 46 298.366 4

Vendor Notes

Note Type Comments Provided By
melting_point 98 - 100 KeyOrganics

Activity (Go SEA)

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