UCSF

ZINC01199596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 27 No

Other Names:

MFCD00974753

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) 3.83 9.87 -10.87 1 5 0 62 397.887 3

Vendor Notes

Note Type Comments Provided By
melting_point 238 - 240 KeyOrganics

Activity (Go SEA)

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