UCSF

ZINC21024461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 18 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) 3.62 7.77 -42.2 2 2 1 29 302.25 4
Mid Mid (pH 6-8) 3.62 6.67 -5.67 1 2 0 25 301.242 4

Activity (Go SEA)

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