UCSF

ZINC01386016

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Other Names:

MFCD00244057

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) 5.62 11.44 -14.48 0 3 0 31 354.24 3
Lo Low (pH 4.5-6) 5.62 11.86 -31.42 1 3 1 32 355.248 3

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 126 KeyOrganics

Activity (Go SEA)

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