UCSF

ZINC12955226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 32 No

Other Names:

MFCD00232347

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) 7.20 17.36 -9.99 0 3 0 27 440.974 5
Ref Reference (pH 7) 7.20 17.35 -8.38 0 3 0 27 440.974 5

Vendor Notes

Note Type Comments Provided By
melting_point 103 - 107 KeyOrganics

Activity (Go SEA)

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