UCSF

ZINC31947288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 1.09 2.66 -62.55 3 7 1 78 333.412 5
Hi High (pH 8-9.5) 1.09 1.25 -16.8 2 7 0 74 332.404 5

Activity (Go SEA)

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