UCSF

ZINC69919975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 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) 0.21 8.7 -34.89 1 6 1 52 343.451 7
Hi High (pH 8-9.5) 0.21 8.24 -18.93 0 6 0 51 342.443 7
Lo Low (pH 4.5-6) 0.21 10.39 -47.97 1 6 1 52 343.451 7

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

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