UCSF

ZINC19794956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 23 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) 1.51 0.67 -6.28 2 5 0 56 328.497 7
Mid Mid (pH 6-8) 1.51 3.02 -40.97 3 5 1 57 329.505 7
Mid Mid (pH 6-8) 1.51 3.07 -34.86 3 5 1 57 329.505 7

Activity (Go SEA)

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