UCSF

ZINC32194891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 10 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) -0.96 -0.43 -65.32 4 4 1 73 140.166 3
Hi High (pH 8-9.5) -0.96 -0.83 -57.85 3 4 0 72 139.158 3

Activity (Go SEA)

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