UCSF

ZINC35344177

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 30 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) 3.60 7.62 -18.8 2 8 0 102 446.916 8
Hi High (pH 8-9.5) 3.79 5.74 -45.73 1 8 -1 109 445.908 8

Activity (Go SEA)

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