UCSF

ZINC34895097

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 No

Other Names:

MFCD01936362

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.89 8.65 -127.18 2 10 -2 142 480.502 10
Mid Mid (pH 6-8) 2.26 10.51 -51.48 3 10 -1 135 481.51 11

Vendor Notes

Note Type Comments Provided By
melting_point 270 - 272 KeyOrganics

Activity (Go SEA)

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

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