UCSF

ZINC62969600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 No

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) 0.09 0.28 -42.53 4 6 1 72 243.36 4
Hi High (pH 8-9.5) 0.09 -2.11 -8.12 3 6 0 70 242.352 4
Lo Low (pH 4.5-6) 0.09 0.11 -104 5 6 2 73 244.368 4

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

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