UCSF

ZINC62953321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.54 4.98 -120.35 4 3 2 41 242.407 3
Hi High (pH 8-9.5) 1.54 3.17 -43.23 3 3 1 40 241.399 3
Hi High (pH 8-9.5) 1.54 2.21 -1.49 2 3 0 38 240.391 3
Mid Mid (pH 6-8) 1.54 4.44 -30.36 3 3 1 40 241.399 3

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

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