UCSF

ZINC34686378

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.60 13.9 -54.62 2 6 1 63 478.657 9
Hi High (pH 8-9.5) 4.78 11.34 -49.1 1 6 0 69 477.649 9

Activity (Go SEA)

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