UCSF

ZINC19933695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 1.01 3.21 -90.05 4 3 2 35 215.385 5
Hi High (pH 8-9.5) 1.01 1.33 -44.03 3 3 1 34 214.377 5
Mid Mid (pH 6-8) 1.01 3.73 -107.27 4 3 2 35 215.385 5

Activity (Go SEA)

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