UCSF

ZINC12955202

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 25 Yes

Other Names:

MFCD00665026

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) 5.13 12.4 -25.53 1 3 1 27 333.455 2
Mid Mid (pH 6-8) 5.13 11.93 -6.96 0 3 0 25 332.447 2

Vendor Notes

Note Type Comments Provided By
melting_point 129 - 131 KeyOrganics

Activity (Go SEA)

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