UCSF

ZINC39265383

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 3.16 8.83 -12.8 0 7 0 72 431.436 8
Mid Mid (pH 6-8) 3.16 10.97 -45.08 1 7 1 73 432.444 8

Activity (Go SEA)

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