UCSF

ZINC39743645

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 25 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) 2.56 3.57 -17.07 2 7 0 97 356.769 5
Hi High (pH 8-9.5) 2.63 2.44 -50.88 1 7 -1 103 355.761 5

Activity (Go SEA)

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