UCSF

ZINC36994352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.06 7.38 -38.49 3 3 1 46 299.419 4
Mid Mid (pH 6-8) 3.06 6.38 -8.29 2 3 0 41 298.411 4

Activity (Go SEA)

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