UCSF

ZINC01394129

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 Yes

Other Names:

MFCD01444102

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) 2.55 -0.58 -7.96 1 3 0 46 209.632 2

Vendor Notes

Note Type Comments Provided By
melting_point 67 - 69 KeyOrganics

Activity (Go SEA)

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