UCSF

ZINC61897149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2011 20 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) 2.52 7.83 -38.01 2 3 1 34 293.456 5
Hi High (pH 8-9.5) 2.52 5.08 -6.4 1 3 0 32 292.448 5

Activity (Go SEA)

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