UCSF

ZINC35017670

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 1.26 8.23 -85.44 2 9 0 115 493.539 6
Hi High (pH 8-9.5) 1.26 6.05 -63.09 1 9 -1 114 492.531 6
Mid Mid (pH 6-8) 1.26 7.67 -64.01 3 9 1 112 494.547 6
Lo Low (pH 4.5-6) 1.26 9.1 -114.29 4 9 2 114 495.555 6

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