UCSF

ZINC33762006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 5.63 13.42 -22.35 1 6 0 75 515.477 10
Hi High (pH 8-9.5) 5.81 12.35 -47.61 0 6 -1 82 514.469 10

Activity (Go SEA)

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