UCSF

ZINC39885390

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.92 9.01 -16.31 1 7 0 83 431.539 8
Hi High (pH 8-9.5) 3.98 7.31 -46.86 0 7 -1 89 430.531 8

Activity (Go SEA)

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