UCSF

ZINC43910685

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.90 8.83 -108.6 3 2 2 21 252.377 5
Hi High (pH 8-9.5) 2.90 5.44 -2.83 1 2 0 15 250.361 5
Hi High (pH 8-9.5) 2.90 6.57 -37.33 2 2 1 20 251.369 5
Mid Mid (pH 6-8) 2.90 7.7 -29.83 2 2 1 16 251.369 5

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