UCSF

ZINC00135874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 24 Yes

Other Names:

MFCD02675277

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) 2.46 8.74 -104.44 3 5 2 51 334.37 4
Mid Mid (pH 6-8) 2.46 6.58 -37.31 2 5 1 50 333.362 4

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 131 KeyOrganics

Activity (Go SEA)

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