UCSF

ZINC39303109

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 39 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) 3.99 9.46 -66.48 4 9 1 102 531.633 9
Hi High (pH 8-9.5) 4.18 7.11 -45.33 3 9 0 109 530.625 9

Activity (Go SEA)

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