UCSF

ZINC40123736

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 3.75 4.58 -55.23 2 7 -1 108 475.315 7
Hi High (pH 8-9.5) 3.75 5.5 -112.67 1 7 -2 111 474.307 7
Lo Low (pH 4.5-6) 3.75 3.82 -16.07 3 7 0 105 476.323 7

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