UCSF

ZINC34925591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 2.30 4.17 -48.76 1 6 -1 106 216.556 2
Mid Mid (pH 6-8) 2.30 4.92 -103.45 0 6 -2 109 215.548 2

Activity (Go SEA)

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