UCSF

ZINC08216055

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 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) 2.74 8.11 -14.59 4 6 0 85 311.32 3
Mid Mid (pH 6-8) 2.74 8.55 -37.84 5 6 1 86 312.328 3

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

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