UCSF

ZINC31892232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.01 9.69 -68.46 1 4 0 54 289.375 6
Hi High (pH 8-9.5) 3.01 7.52 -57.05 0 4 -1 53 288.367 6

Activity (Go SEA)

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