UCSF

ZINC08853862

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 17 Yes

Other Names:

MFCD08064747

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) 2.30 5.72 -11.12 2 3 0 46 230.311 1

Vendor Notes

Note Type Comments Provided By
melting_point 225 - 227 KeyOrganics

Activity (Go SEA)

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