UCSF

ZINC49066957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 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) 1.27 3.75 -52.62 3 6 1 76 285.393 7
Hi High (pH 8-9.5) 1.84 0.84 -17.35 2 6 0 78 284.385 6
Mid Mid (pH 6-8) 1.09 3.14 -42.73 2 6 0 82 284.385 7

Activity (Go SEA)

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