UCSF

ZINC42946400

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 1.30 3.12 -105.44 5 4 2 61 297.83 4
Hi High (pH 8-9.5) 1.30 2.25 -38.19 4 4 1 60 296.822 4
Mid Mid (pH 6-8) 1.30 2.88 -42.24 4 4 1 60 296.822 4

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