UCSF

ZINC02383814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 13 Yes

Other Names:

MFCD01814612

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) 0.25 5.34 -46.96 0 5 -1 67 183.187 6
Mid Mid (pH 6-8) 0.25 5.84 -62.17 1 5 0 68 184.195 6

Vendor Notes

Note Type Comments Provided By
melting_point 111 - 112 KeyOrganics

Activity (Go SEA)

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

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