UCSF

ZINC03218156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 21 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) 3.15 8.89 -44.65 2 4 1 46 302.423 4
Mid Mid (pH 6-8) 2.97 8.08 -34.76 1 4 0 53 301.415 4

Vendor Notes

Note Type Comments Provided By
melting_point 131 - 132 KeyOrganics

Activity (Go SEA)

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