UCSF

ZINC62667671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.77 5.31 -25.86 3 3 1 42 194.302 3
Hi High (pH 8-9.5) 2.77 5.19 -5.23 2 3 0 41 193.294 3
Mid Mid (pH 6-8) 2.77 5.2 -6.01 2 3 0 41 193.294 3
Lo Low (pH 4.5-6) 2.77 5.33 -25.53 3 3 1 42 194.302 3

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

No pre-computed analogs available. Try a structural similarity search.