UCSF

ZINC01386014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Other Names:

MFCD00244055

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) 5.57 -0.03 -12.81 0 3 0 30 354.24 3

Vendor Notes

Note Type Comments Provided By
melting_point 148 - 149 KeyOrganics

Activity (Go SEA)

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