UCSF

ZINC04051767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 12 Yes

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) 0.70 3.23 -9.06 1 3 0 42 162.192 2
Lo Low (pH 4.5-6) 0.70 3.5 -34.83 2 3 1 43 163.2 2

Vendor Notes

Note Type Comments Provided By
melting_point 145 - 147 KeyOrganics

Activity (Go SEA)

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