UCSF

ZINC41681645

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.73 6.62 -36.37 2 3 1 20 250.41 9
Hi High (pH 8-9.5) 2.73 4.16 -2.48 1 3 0 19 249.402 9
Mid Mid (pH 6-8) 2.73 6.29 -37.96 2 3 1 20 250.41 9
Lo Low (pH 4.5-6) 2.73 8.74 -113.59 3 3 2 21 251.418 9

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Rings

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