UCSF

ZINC62533170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 18 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) 1.04 1.72 -48.44 4 5 1 69 258.386 7
Hi High (pH 8-9.5) 1.04 -0.18 -9.5 3 5 0 68 257.378 7
Lo Low (pH 4.5-6) 1.04 2.85 -118.8 5 5 2 73 259.394 7

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

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