UCSF

ZINC39917760

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 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) 6.27 16.76 -48.21 1 3 1 22 398.574 6
Lo Low (pH 4.5-6) 6.27 16.75 -99.72 2 3 2 24 399.582 6

Activity (Go SEA)

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