UCSF

ZINC19785088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 20 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) 2.00 2.81 -7.38 1 4 0 40 272.348 4
Mid Mid (pH 6-8) 2.00 5.18 -39.17 2 4 1 41 273.356 4

Activity (Go SEA)

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