UCSF

ZINC61174691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 16 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) -0.33 5.92 -24.6 1 4 0 54 229.32 5
Hi High (pH 8-9.5) -0.33 4.12 -42.02 0 4 -1 53 228.312 5

Activity (Go SEA)

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