UCSF

ZINC42491035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 2.51 8.7 -99.11 3 2 2 21 212.381 9
Hi High (pH 8-9.5) 2.51 7.4 -32.74 2 2 1 16 211.373 9
Mid Mid (pH 6-8) 2.51 6.61 -34.79 2 2 1 20 211.373 9

Activity (Go SEA)

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