UCSF

ZINC54072736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 18 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) 0.99 4.07 -71.98 3 5 0 86 258.224 4
Hi High (pH 8-9.5) 0.99 2.85 -56.71 2 5 -1 81 257.216 4

Activity (Go SEA)

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