UCSF

ZINC69079540

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 1.59 6.24 -37.53 2 4 1 49 252.382 7
Mid Mid (pH 6-8) 1.59 4.26 -4.08 1 4 0 48 251.374 7

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

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