UCSF

ZINC35017666

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) 2.15 8.39 -84.74 2 9 0 115 499.587 6
Hi High (pH 8-9.5) 2.15 6.29 -63.24 1 9 -1 114 498.579 6
Mid Mid (pH 6-8) 2.15 7.91 -60.3 3 9 1 112 500.595 6
Lo Low (pH 4.5-6) 2.15 9.63 -100.85 4 9 2 114 501.603 6

Activity (Go SEA)

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