UCSF

ZINC06424093

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 17 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) 1.10 6.69 -13.15 0 6 0 61 226.243 3
Mid Mid (pH 6-8) 1.10 7.19 -43.27 1 6 1 63 227.251 3

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

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