UCSF

ZINC54936241

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) 0.29 2.41 -6.75 1 5 0 50 236.319 4
Mid Mid (pH 6-8) 0.29 4.73 -42.14 2 5 1 51 237.327 4
Mid Mid (pH 6-8) 0.29 2.86 -31.45 2 5 1 52 237.327 4
Lo Low (pH 4.5-6) 0.29 5.18 -89.28 3 5 2 53 238.335 4

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

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