UCSF

ZINC01385204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 15 No

Other Names:

MFCD00127217

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) 1.80 3.33 -9.14 1 5 0 57 204.233 2
Ref Reference (pH 7) 1.80 2.99 -10.4 1 5 0 57 204.233 2

Vendor Notes

Note Type Comments Provided By
melting_point 112 KeyOrganics

Activity (Go SEA)

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

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