UCSF

ZINC42471255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.14 8.48 -104 3 2 2 21 252.427 6
Hi High (pH 8-9.5) 2.14 7.32 -30.32 2 2 1 16 251.419 6
Hi High (pH 8-9.5) 2.14 6.4 -37.54 2 2 1 20 251.419 6

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