UCSF

ZINC05680045

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 22 Yes

Other Names:

MFCD01316460

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) 3.94 9.95 -56.55 0 4 -1 58 315.711 3

Vendor Notes

Note Type Comments Provided By
melting_point 190 - 191 KeyOrganics

Activity (Go SEA)

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