UCSF

ZINC62630655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 36 No

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) 3.86 12.13 -23.31 2 9 0 119 491.454 8
Hi High (pH 8-9.5) 4.04 10.84 -64.21 1 9 -1 125 490.446 8

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

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