UCSF

ZINC03047486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 29 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) 7.18 17.06 -7.83 0 2 0 18 398.575 7
Mid Mid (pH 6-8) 7.18 17.45 -25.48 1 2 1 19 399.583 7

Vendor Notes

Note Type Comments Provided By
melting_point 94 - 96 KeyOrganics

Activity (Go SEA)

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