UCSF

ZINC20199886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 0.27 2.11 -10.75 2 4 0 65 219.219 3
Mid Mid (pH 6-8) 0.27 3.35 -61.2 3 4 1 69 220.227 3

Activity (Go SEA)

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