UCSF

ZINC62993103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.22 8.94 -47.21 1 7 0 60 492.64 8
Mid Mid (pH 6-8) 4.22 11.08 -48.11 1 7 1 60 492.64 8
Mid Mid (pH 6-8) 4.22 11.19 -131.72 2 7 0 61 493.648 8
Mid Mid (pH 6-8) 4.22 8.82 -10.29 0 7 0 58 491.632 8

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

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