UCSF

ZINC06293245

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.65 0.1 -40.31 3 7 1 97 165.136 0
Hi High (pH 8-9.5) 0.65 -0.99 -5.23 2 7 0 95 164.128 0

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

No pre-computed analogs available. Try a structural similarity search.