UCSF

ZINC34660197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 3.73 9.46 -54.63 2 5 1 72 279.36 6
Hi High (pH 8-9.5) 3.73 8.02 -10.06 1 5 0 67 278.352 6

Activity (Go SEA)

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