UCSF

ZINC43969075

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.73 9.3 -112.16 3 3 2 30 294.483 8
Hi High (pH 8-9.5) 3.73 7.42 -32.78 2 3 1 29 293.475 8
Hi High (pH 8-9.5) 3.73 5.64 -2.67 1 3 0 24 292.467 8
Mid Mid (pH 6-8) 3.73 8.22 -30.11 2 3 1 26 293.475 8

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