UCSF

ZINC04042022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 27 No

Other Names:

MFCD00975800

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) 4.30 11.48 -16.16 1 7 0 92 358.357 4
Ref Reference (pH 7) 4.30 11.7 -10.89 1 7 0 92 358.357 4

Vendor Notes

Note Type Comments Provided By
melting_point 222 - 224 KeyOrganics

Activity (Go SEA)

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