UCSF

ZINC36642080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 5.82 14.53 -60.19 1 5 1 47 509.449 5
Hi High (pH 8-9.5) 5.82 12.01 -13.5 0 5 0 46 508.441 5

Activity (Go SEA)

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