UCSF

ZINC62965671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.59 6.64 -39.77 3 4 1 47 257.361 2
Hi High (pH 8-9.5) 1.59 4.25 -8.15 2 4 0 45 256.353 2
Mid Mid (pH 6-8) 1.59 6.97 -84.2 4 4 2 48 258.369 2

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

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