UCSF

ZINC04089505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 Yes

Other Names:

MFCD04124802

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) 3.42 0.17 -55.85 1 4 -1 69 316.421 6

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 171 KeyOrganics

Activity (Go SEA)

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