UCSF

ZINC32879168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 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) 3.75 7.43 -35.96 4 3 1 60 303.47 6
Mid Mid (pH 6-8) 3.75 6.54 -6.34 3 3 0 55 302.462 6

Activity (Go SEA)

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