UCSF

ZINC52380471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.84 2.42 -44.19 2 5 1 55 240.327 4
Hi High (pH 8-9.5) 0.84 0.97 -7.36 1 5 0 51 239.319 4
Mid Mid (pH 6-8) 0.84 4.38 -99.53 3 5 2 56 241.335 4

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

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