UCSF

ZINC72190340

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2012 20 Yes

CAS Number: 2946-39-6

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) -0.74 -5.59 -118.66 8 9 2 141 350.173 2
Mid Mid (pH 6-8) -0.74 -5.9 -43.81 7 9 1 140 349.165 2

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

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