UCSF

ZINC35017575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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 -0.34 -17.96 2 11 0 132 482.538 7
Mid Mid (pH 6-8) -0.12 0.29 -57.15 1 11 -1 134 481.53 7
Lo Low (pH 4.5-6) -0.12 1.35 -42.26 3 11 1 133 483.546 7

Activity (Go SEA)

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