UCSF

ZINC69490262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 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) 2.80 10.21 -29.86 1 3 1 22 286.374 3
Hi High (pH 8-9.5) 2.80 9.75 -8.95 0 3 0 21 285.366 3
Mid Mid (pH 6-8) 2.80 12.12 -100.46 2 3 2 24 287.382 3
Lo Low (pH 4.5-6) 2.80 11.65 -42.42 1 3 1 22 286.374 3

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

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