UCSF

ZINC69964677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 0.70 4.24 -10.21 2 5 0 70 217.276 4
Mid Mid (pH 6-8) 0.70 5.12 -91.95 4 5 2 72 219.292 4
Mid Mid (pH 6-8) 0.70 4.72 -32 3 5 1 71 218.284 4
Mid Mid (pH 6-8) 0.70 4.64 -57.4 3 5 1 71 218.284 4

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

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