UCSF

ZINC67947163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.72 3.08 -36.97 3 7 1 73 362.45 3
Hi High (pH 8-9.5) 0.72 0.83 -10.98 2 7 0 72 361.442 3

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

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