UCSF

ZINC12952923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 29 No

Other Names:

MFCD02102556

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) 6.44 11.37 -12.99 1 4 0 48 428.315 7

Vendor Notes

Note Type Comments Provided By
melting_point 151 - 153 KeyOrganics

Activity (Go SEA)

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