UCSF

ZINC39227297

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 3.21 11.64 -49.06 1 5 1 51 405.518 2
Hi High (pH 8-9.5) 3.21 9.26 -13.1 0 5 0 50 404.51 2

Activity (Go SEA)

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