UCSF

ZINC36706091

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) 6.03 12.94 -12.25 0 6 0 63 513.663 8
Mid Mid (pH 6-8) 6.03 15.2 -45.67 1 6 1 64 514.671 8

Activity (Go SEA)

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