UCSF

ZINC44686180

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.32 8.72 -34.25 2 3 1 26 289.443 7
Hi High (pH 8-9.5) 3.32 6.38 -3.38 1 3 0 24 288.435 7
Lo Low (pH 4.5-6) 3.32 7.28 -43.21 2 3 1 29 289.443 7
Lo Low (pH 4.5-6) 3.32 9.62 -114.66 3 3 2 30 290.451 7

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