UCSF

ZINC61485424

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 16 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) 1.30 6.07 -40.08 2 4 1 46 221.328 5
Hi High (pH 8-9.5) 1.30 4.62 -6.66 1 4 0 41 220.32 5
Mid Mid (pH 6-8) 1.30 6.19 -105.09 3 4 2 47 222.336 5
Lo Low (pH 4.5-6) 1.30 6.18 -93.3 3 4 2 47 222.336 5

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

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