UCSF

ZINC39227502

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 5.71 14.04 -50.2 2 5 1 60 463.642 6
Hi High (pH 8-9.5) 5.71 11.65 -13.63 1 5 0 59 462.634 6

Activity (Go SEA)

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