UCSF

ZINC28851842

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 19 No

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) 1.68 6.54 -55.69 3 5 1 63 268.381 4
Hi High (pH 8-9.5) 1.68 4.02 -21.63 2 5 0 61 267.373 4

Activity (Go SEA)

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