UCSF

ZINC36717360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 29 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) 3.23 7.82 -11.41 0 6 0 59 410.543 5
Mid Mid (pH 6-8) 3.23 10.05 -49.36 1 6 1 60 411.551 5

Activity (Go SEA)

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