UCSF

ZINC04025091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 20 Yes

Other Names:

MFCD03012365

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) 2.86 2 -10.41 0 3 0 32 302.683 2
Mid Mid (pH 6-8) 2.41 0.94 -8 0 3 0 32 302.683 2

Vendor Notes

Note Type Comments Provided By
melting_point 89 - 91 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.