UCSF

ZINC01396591

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 20 Yes

Other Names:

MFCD00141244

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) 3.27 0.86 -15.53 1 4 0 50 279.221 2
Lo Low (pH 4.5-6) 3.27 0.99 -37.83 2 4 1 52 280.229 2

Vendor Notes

Note Type Comments Provided By
melting_point 268 - 270 KeyOrganics

Activity (Go SEA)

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