UCSF

ZINC01401198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 No

Other Names:

MFCD00141731

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) 1.05 2.12 -26.67 4 5 0 84 237.284 3

Vendor Notes

Note Type Comments Provided By
melting_point 192 - 195 KeyOrganics

Activity (Go SEA)

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