UCSF

ZINC43140749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 20 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) 0.98 4.13 -46.5 3 6 1 66 283.396 4
Mid Mid (pH 6-8) 0.98 1.79 -12.03 2 6 0 65 282.388 4

Activity (Go SEA)

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