UCSF

ZINC07208502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 21 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) 3.44 6.62 -11.17 1 5 0 80 307.733 7
Hi High (pH 8-9.5) 3.44 7.55 -45.33 0 5 -1 82 306.725 7

Activity (Go SEA)

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