UCSF

ZINC69797669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.49 0.96 -42.31 3 4 1 53 225.312 3
Hi High (pH 8-9.5) 0.49 0.5 -4.94 2 4 0 52 224.304 3
Lo Low (pH 4.5-6) 0.49 3.14 -100.17 4 4 2 54 226.32 3

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

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