UCSF

ZINC01385508

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

Other Names:

MFCD00171803

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) 5.05 10.15 -48.17 0 3 -1 53 314.773 3

Vendor Notes

Note Type Comments Provided By
melting_point 284 - 286 KeyOrganics

Activity (Go SEA)

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