UCSF

ZINC64540384

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 23 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) 1.01 4.87 -19.36 2 7 0 89 316.292 3
Hi High (pH 8-9.5) 1.01 6.27 -48.8 2 7 0 93 316.292 3
Mid Mid (pH 6-8) 1.01 5.33 -42.9 3 7 1 90 317.3 3

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

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