UCSF

ZINC62807613

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 1.27 8.25 -51.04 3 3 1 45 266.368 4
Hi High (pH 8-9.5) 1.27 7.94 -8.58 2 3 0 44 265.36 4
Mid Mid (pH 6-8) 1.27 8.74 -104.36 4 3 2 47 267.376 4

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

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