UCSF

ZINC37099087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.01 4.41 -104.09 4 2 2 32 160.305 5
Hi High (pH 8-9.5) 1.01 2.74 -39.21 3 2 1 31 159.297 5
Hi High (pH 8-9.5) 1.01 4.04 -30.66 3 2 1 30 159.297 5

Activity (Go SEA)

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