UCSF

ZINC01384580

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Other Names:

MFCD04125010

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) 1.97 4.03 -8.63 2 4 0 58 269.226 4
Hi High (pH 8-9.5) 1.97 3.9 -35.67 1 4 -1 56 268.218 4

Vendor Notes

Note Type Comments Provided By
melting_point 177 - 179 KeyOrganics

Activity (Go SEA)

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