UCSF

ZINC35017606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) -0.92 1.36 -15.6 2 10 0 128 431.424 4
Mid Mid (pH 6-8) -0.92 1.98 -49.62 1 10 -1 131 430.416 4
Lo Low (pH 4.5-6) -0.92 3.07 -47.06 3 10 1 130 432.432 4

Activity (Go SEA)

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