UCSF

ZINC08857056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 30 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) 7.99 1.27 -9.26 0 2 0 17 453.438 7
Mid Mid (pH 6-8) 7.99 1.46 -22.22 1 2 1 19 454.446 7

Vendor Notes

Note Type Comments Provided By
melting_point 119 - 121 KeyOrganics

Activity (Go SEA)

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