UCSF

ZINC03134505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 26 Yes

Other Names:

MFCD00243784

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) 6.63 0.46 -11.32 0 3 0 30 382.294 3

Vendor Notes

Note Type Comments Provided By
melting_point 224 - 229 KeyOrganics

Activity (Go SEA)

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