UCSF

ZINC05701581

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 19 Yes

Other Names:

MFCD03102846

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) 1.47 2.6 -51.47 0 6 -1 75 255.257 3

Vendor Notes

Note Type Comments Provided By
melting_point 177 - 178 KeyOrganics

Activity (Go SEA)

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