UCSF

ZINC58309712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 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) 1.12 8.32 -66.35 3 6 1 64 309.397 5
Hi High (pH 8-9.5) 1.12 6.95 -12.59 2 6 0 60 308.389 5
Mid Mid (pH 6-8) 1.12 8.48 -112.22 4 6 2 66 310.405 5
Lo Low (pH 4.5-6) 1.12 8.99 -158.79 5 6 3 67 311.413 5

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

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