UCSF

ZINC49560540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) 1.69 2.6 -47.98 3 6 1 82 303.433 2
Hi High (pH 8-9.5) 0.76 0.74 -47.43 1 6 -1 76 301.417 3
Mid Mid (pH 6-8) 1.69 1.33 -11.09 2 6 0 78 302.425 2

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

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