UCSF

ZINC31945397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 No

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) 2.87 6.22 -50.65 4 4 1 60 294.444 6
Hi High (pH 8-9.5) 2.87 4.32 -19.27 3 4 0 58 293.436 6

Activity (Go SEA)

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