UCSF

ZINC04394810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 16 No

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) 1.12 1.42 -7.72 3 4 0 60 245.254 4
Mid Mid (pH 6-8) 1.12 2.31 -34.52 4 4 1 61 246.262 4
Mid Mid (pH 6-8) 1.93 2.12 -10.94 3 4 0 59 245.254 4

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

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