UCSF

ZINC00238248

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD00665262

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) 2.58 4.86 -11.42 0 4 0 52 223.235 2
Lo Low (pH 4.5-6) 2.58 5.41 -33.11 1 4 1 53 224.243 2

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 132 KeyOrganics

Activity (Go SEA)

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