UCSF

ZINC49266486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 21 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) 2.32 4.73 -28.95 3 5 1 56 293.435 7
Hi High (pH 8-9.5) 2.32 4.26 -5.89 2 5 0 55 292.427 7
Mid Mid (pH 6-8) 2.32 7.02 -83.09 4 5 2 57 294.443 7

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

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