UCSF

ZINC95496160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2013 19 Yes

CAS Number: 3160-59-6

Other Names:

N/A

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) 1.28 5.97 -48.58 1 5 -1 78 264.301 8
Mid Mid (pH 6-8) 1.28 7.61 -27.84 2 5 0 83 265.309 8

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

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