UCSF

ZINC00044345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

Other Names:

MFCD00834857

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) 3.79 -0.17 -11.3 1 5 0 56 311.337 5

Vendor Notes

Note Type Comments Provided By
melting_point 184 - 186 KeyOrganics

Activity (Go SEA)

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