UCSF

ZINC42651903

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 3.41 4.52 -5.59 0 4 0 41 357.69 3
Mid Mid (pH 6-8) 3.41 6.74 -40.55 1 4 1 42 358.698 3

Activity (Go SEA)

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