UCSF

ZINC36470605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 22 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) 1.82 5.22 -89.58 3 4 2 28 324.9 4
Hi High (pH 8-9.5) 1.82 2.86 -40.71 2 4 1 26 323.892 4

Activity (Go SEA)

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