UCSF

ZINC01402136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 20 Yes

Other Names:

MFCD03305447

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) 2.94 0.06 -16.07 1 3 0 34 264.328 3

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 133 KeyOrganics

Activity (Go SEA)

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