UCSF

ZINC36705090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 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) 5.89 11.84 -23.7 0 7 0 64 517.651 10
Mid Mid (pH 6-8) 5.89 14.12 -69.05 1 7 1 65 518.659 10

Activity (Go SEA)

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