UCSF

ZINC01383410

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Other Names:

MFCD04124041

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) 2.89 3.48 -32.72 0 4 -1 58 261.223 2
Lo Low (pH 4.5-6) 2.43 5.21 -5.41 1 4 0 55 262.231 2

Vendor Notes

Note Type Comments Provided By
melting_point 198 - 200 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.