UCSF

ZINC85996401

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2013 27 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) 3.54 9.48 -18.53 2 6 0 76 360.417 7
Mid Mid (pH 6-8) 3.54 10.17 -32.64 3 6 1 77 361.425 7
Mid Mid (pH 6-8) 3.54 9.97 -40.13 3 6 1 77 361.425 7
Lo Low (pH 4.5-6) 3.54 10.65 -84.99 4 6 2 78 362.433 7

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

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