UCSF

ZINC20201214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 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) 3.20 10.32 -40.43 1 4 1 28 358.55 5
Mid Mid (pH 6-8) 3.20 12.78 -100.97 2 4 2 29 359.558 5
Lo Low (pH 4.5-6) 3.20 10.49 -39.06 1 4 1 28 358.55 5

Activity (Go SEA)

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