UCSF

ZINC19726025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 Yes

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) 1.10 3.3 -42.24 2 4 1 32 276.404 4
Lo Low (pH 4.5-6) 1.10 5.25 -94.83 3 4 2 34 277.412 4

Activity (Go SEA)

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