UCSF

ZINC35017732

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) -0.18 1.75 -13.62 2 9 0 117 404.398 4
Mid Mid (pH 6-8) -0.18 2.41 -51.87 1 9 -1 120 403.39 4
Lo Low (pH 4.5-6) -0.18 3.45 -47.98 3 9 1 119 405.406 4

Activity (Go SEA)

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