UCSF

ZINC41146054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 22 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) 1.81 3.8 -16.64 3 6 0 90 302.378 5
Mid Mid (pH 6-8) 1.81 4.36 -36.34 4 6 1 91 303.386 5

Activity (Go SEA)

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