UCSF

ZINC40147301

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 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) 6.08 13.87 -15.33 1 7 0 98 522.598 12
Hi High (pH 8-9.5) 6.27 12.3 -43.43 0 7 -1 104 521.59 12

Activity (Go SEA)

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