UCSF

ZINC31096703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 26 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) 2.94 8 -16.67 1 6 0 73 345.406 2
Lo Low (pH 4.5-6) 2.94 8.41 -47.4 2 6 1 74 346.414 2

Activity (Go SEA)

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