UCSF

ZINC36642515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 2.21 10.97 -48.63 1 7 1 65 374.49 7
Hi High (pH 8-9.5) 2.21 8.63 -17.36 0 7 0 63 373.482 7
Lo Low (pH 4.5-6) 2.21 11.13 -112.16 2 7 2 66 375.498 7

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

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