UCSF

ZINC62820621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.30 -0.35 -30.75 3 4 1 59 169.204 2
Mid Mid (pH 6-8) -0.30 -0.7 -7.06 2 4 0 58 168.196 2
Mid Mid (pH 6-8) -0.30 -0.73 -8.56 2 4 0 58 168.196 2

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

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