UCSF

ZINC20179741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) 1.15 4.82 -106.52 4 5 2 54 309.454 7
Mid Mid (pH 6-8) 1.15 2.51 -50.73 3 5 1 53 308.446 7

Activity (Go SEA)

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