UCSF

ZINC22996564

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 17 No

Other Names:

MFCD11501785

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) 1.71 2.35 -49.65 1 5 -1 77 272.737 5
Mid Mid (pH 6-8) 1.71 2.26 -18.56 2 5 0 75 273.745 5

Vendor Notes

Note Type Comments Provided By
melting_point 153 - 155 KeyOrganics

Activity (Go SEA)

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