UCSF

ZINC04014023

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 19 Yes

Other Names:

MFCD02082029

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) 3.49 2.4 -46.62 0 3 -1 49 259.256 4

Vendor Notes

Note Type Comments Provided By
melting_point 112 - 115 KeyOrganics

Activity (Go SEA)

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