UCSF

ZINC95890362

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 15 Yes

Other Names:

MFCD04114285

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) 2.30 6.58 -96 2 2 2 18 208.28 3
Hi High (pH 8-9.5) 2.30 4.09 -31.91 1 2 1 17 207.272 3

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

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