UCSF

ZINC39324510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 4.27 7.41 -10.36 2 6 0 81 429.52 5
Lo Low (pH 4.5-6) 4.27 7.78 -45.36 3 6 1 82 430.528 5

Activity (Go SEA)

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