UCSF

ZINC59389660

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 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) 7.38 14.79 -32.69 1 3 1 31 354.599 12
Hi High (pH 8-9.5) 7.38 13.27 -4.21 0 3 0 30 353.591 12

Activity (Go SEA)

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