UCSF

ZINC04072835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 22 No

Other Names:

MFCD01366695

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) 0.19 2.23 -47.52 1 6 -1 87 320.243 7

Vendor Notes

Note Type Comments Provided By
melting_point 175 - 177 KeyOrganics

Activity (Go SEA)

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