UCSF

ZINC02555729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Other Names:

MFCD00173120

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) -1.32 4.86 -18.83 1 7 0 96 189.182 3
Hi High (pH 8-9.5) -1.32 4.71 -40.78 0 7 -1 94 188.174 3

Vendor Notes

Note Type Comments Provided By
melting_point 124 - 126 KeyOrganics

Activity (Go SEA)

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