UCSF

ZINC01314914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 1.23 1.94 -9.12 2 5 0 74 219.244 0
Lo Low (pH 4.5-6) 1.23 2.79 -30.58 3 5 1 75 220.252 0
Lo Low (pH 4.5-6) 1.23 -1.55 -32.24 3 5 1 75 220.252 0

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

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