UCSF

ZINC12960818

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 31 No

Other Names:

MFCD01314763

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) 6.82 13.47 -10.52 1 4 0 46 464.274 5
Ref Reference (pH 7) 6.82 13.35 -14.98 1 4 0 46 464.274 5

Vendor Notes

Note Type Comments Provided By
melting_point 193 - 194 KeyOrganics

Activity (Go SEA)

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