UCSF

ZINC01385349

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Other Names:

MFCD00140831

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) 1.94 2.04 -10.16 1 5 0 59 300.268 3
Mid Mid (pH 6-8) 1.94 2.31 -41.29 2 5 1 61 301.276 3

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

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