UCSF

ZINC35017701

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) -0.12 2.11 -95.17 2 10 0 132 453.496 5
Mid Mid (pH 6-8) -0.12 1.26 -17.12 2 10 0 128 453.496 5
Mid Mid (pH 6-8) -0.12 1.87 -54.78 1 10 -1 131 452.488 5
Lo Low (pH 4.5-6) -0.12 5.78 -75.98 3 10 0 134 454.504 5
Lo Low (pH 4.5-6) -0.12 3.42 -53.94 4 10 0 131 455.512 5

Activity (Go SEA)

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