UCSF

ZINC53334904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

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) 3.43 6.97 -6.09 2 3 0 48 242.322 5
Mid Mid (pH 6-8) 3.43 7.44 -31.93 3 3 1 49 243.33 5

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

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