UCSF

ZINC61458138

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 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) 1.29 3.21 -36.22 2 2 1 20 169.292 3
Hi High (pH 8-9.5) 1.29 1.8 -1.17 1 2 0 15 168.284 3
Mid Mid (pH 6-8) 1.29 4.05 -32.05 2 2 1 16 169.292 3
Lo Low (pH 4.5-6) 1.29 5.46 -105.43 3 2 2 21 170.3 3

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

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