UCSF

ZINC62915533

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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 4.04 -72.39 3 5 0 88 254.33 2
Mid Mid (pH 6-8) 1.04 3.79 -52.18 2 5 -1 86 253.322 2

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

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