UCSF

ZINC36126326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.37 5.29 -42.73 1 5 1 37 258.386 5
Hi High (pH 8-9.5) 1.37 2.83 -5.44 0 5 0 36 257.378 5
Lo Low (pH 4.5-6) 1.37 7.34 -115.72 2 5 2 38 259.394 5

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