UCSF

ZINC13545387

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 No

Other Names:

MFCD00974669

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) 3.25 3.64 -9.04 1 5 0 67 238.25 3
Ref Reference (pH 7) 2.52 5.2 -14.66 1 5 0 63 238.25 3
Mid Mid (pH 6-8) 3.25 3.78 -10.75 1 5 0 67 238.25 3
Mid Mid (pH 6-8) 3.25 5.06 -11.53 1 5 0 67 238.25 3
Mid Mid (pH 6-8) 3.25 4.93 -9.68 1 5 0 67 238.25 3

Vendor Notes

Note Type Comments Provided By
melting_point 208 - 210 KeyOrganics

Activity (Go SEA)

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

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