UCSF

ZINC39723917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 29 No

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) 4.96 12.01 -23.24 1 7 0 101 422.491 6
Mid Mid (pH 6-8) 5.02 9.84 -51.56 0 7 -1 107 421.483 6

Activity (Go SEA)

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