UCSF

ZINC37716276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 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) 1.20 0.76 -12.43 2 6 0 79 441.145 4
Hi High (pH 8-9.5) 1.20 0.37 -43.29 1 6 -1 81 440.137 4
Mid Mid (pH 6-8) 1.20 2.06 -55.48 3 6 1 83 442.153 4

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

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