UCSF

ZINC32021525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.55 3.25 -32.67 2 4 1 37 228.36 4
Hi High (pH 8-9.5) 0.55 1.37 -7.82 1 4 0 36 227.352 4
Mid Mid (pH 6-8) 0.55 4.63 -94.72 3 4 2 41 229.368 4

Activity (Go SEA)

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