UCSF

ZINC35552199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 3.75 11.49 -14.68 0 4 0 28 393.506 5
Mid Mid (pH 6-8) 3.75 13.7 -52.01 1 4 1 30 394.514 5

Activity (Go SEA)

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