UCSF

ZINC12351456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 20 No

Other Names:

MFCD00663732

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) 3.72 10.08 -11.84 0 3 0 34 302.786 3

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 169 KeyOrganics

Activity (Go SEA)

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