UCSF

ZINC70013109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 16 Yes

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) 2.95 8.96 -30.3 1 2 1 17 239.408 7
Hi High (pH 8-9.5) 2.95 6.13 -4.12 0 2 0 16 238.4 7

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