UCSF

ZINC44944004

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 30 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) 3.03 10.85 -46.18 2 6 1 67 411.57 4
Mid Mid (pH 6-8) 3.03 10.56 -14.73 1 6 0 66 410.562 4

Activity (Go SEA)

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