UCSF

ZINC01384664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 12 No

Other Names:

MFCD00127345

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) -0.49 3.96 -15.86 2 4 0 64 161.164 0
Lo Low (pH 4.5-6) -0.49 4.25 -40.07 3 4 1 66 162.172 0

Vendor Notes

Note Type Comments Provided By
melting_point 284 - 287 KeyOrganics

Activity (Go SEA)

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

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