UCSF

ZINC35017677

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 6.58 -12.6 2 9 0 111 493.539 6
Mid Mid (pH 6-8) 1.26 7.18 -50.27 1 9 -1 114 492.531 6
Lo Low (pH 4.5-6) 1.26 8.34 -43.74 3 9 1 113 494.547 6

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