UCSF

ZINC70116996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 2.18 5.57 -31.41 3 5 1 68 277.392 4
Mid Mid (pH 6-8) 2.18 5.4 -7.34 2 5 0 67 276.384 4
Lo Low (pH 4.5-6) 2.18 5.63 -29.96 3 5 1 68 277.392 4

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

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