UCSF

ZINC12955530

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 13 No

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) 1.78 7.14 -9.63 0 5 0 63 177.163 1
Mid Mid (pH 6-8) 1.78 7.64 -35.07 1 5 1 64 178.171 1

Vendor Notes

Note Type Comments Provided By
melting_point 144 - 146 KeyOrganics

Activity (Go SEA)

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