UCSF

ZINC69760656

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 0.70 4.17 -29.35 3 3 1 44 227.353 3
Mid Mid (pH 6-8) 0.70 2.93 -49.12 3 3 1 44 227.353 3
Lo Low (pH 4.5-6) 0.70 4.61 -126.16 4 3 2 45 228.361 3

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

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