UCSF

ZINC38596476

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 0.59 2.47 -96.29 4 8 2 97 362.43 7
Mid Mid (pH 6-8) 0.59 2.67 -78.08 4 8 2 97 362.43 7
Mid Mid (pH 6-8) 0.59 0.31 -32.41 3 8 1 96 361.422 7

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

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