UCSF

ZINC12857367

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 26 Yes

Other Names:

MFCD03012825

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.82 -0.84 -9.21 1 6 0 66 358.39 3

Vendor Notes

Note Type Comments Provided By
melting_point 146 - 148 KeyOrganics

Activity (Go SEA)

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