UCSF

ZINC05383640

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 27 Yes

Other Names:

MFCD01316081

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) 3.99 10.14 -11.85 2 5 0 61 385.895 3

Vendor Notes

Note Type Comments Provided By
melting_point 129 - 131 KeyOrganics

Activity (Go SEA)

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