UCSF

ZINC49443088

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 19 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) 0.50 2.28 -10.65 0 5 0 54 279.365 4
Mid Mid (pH 6-8) 0.50 4.5 -49.76 1 5 1 55 280.373 4

Activity (Go SEA)

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