UCSF

ZINC03841548

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2005 21 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) 1.57 6.4 -17.26 1 5 0 76 308.403 4
Hi High (pH 8-9.5) 1.57 6.47 -54.56 0 5 -1 78 307.395 4
Lo Low (pH 4.5-6) 1.57 6.68 -38.07 2 5 1 77 309.411 4

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

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