UCSF

ZINC01326713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Other Names:

MFCD01871674

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) 3.72 -1.37 -11.26 0 3 0 33 356.878 2

Vendor Notes

Note Type Comments Provided By
melting_point 115 - 116 KeyOrganics

Activity (Go SEA)

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