UCSF

ZINC39326682

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 3.47 9.36 -17.94 2 5 0 79 419.431 2
Lo Low (pH 4.5-6) 3.47 9.67 -56.56 3 5 1 81 420.439 2

Activity (Go SEA)

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