UCSF

ZINC39264955

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 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) 1.19 5.46 -49.51 4 10 1 121 429.501 8
Hi High (pH 8-9.5) 1.19 2.99 -15.13 3 10 0 120 428.493 8

Activity (Go SEA)

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