UCSF

ZINC34945016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.01 11.32 -16.75 0 6 0 61 491.657 9
Mid Mid (pH 6-8) 4.01 13.54 -59.24 1 6 1 62 492.665 9

Activity (Go SEA)

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