UCSF

ZINC02531675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 24 Yes

Other Names:

MFCD04121596

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) 3.10 9.02 -44.57 2 4 1 37 328.411 5
Mid Mid (pH 6-8) 3.10 6.87 -9 1 4 0 36 327.403 5

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 127 KeyOrganics

Activity (Go SEA)

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