UCSF

ZINC63000732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 19 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) 1.49 5.46 -31.22 3 4 1 51 260.361 7
Hi High (pH 8-9.5) 1.49 4.7 -9.64 2 4 0 50 259.353 7
Mid Mid (pH 6-8) 1.49 6.29 -109.11 4 4 2 56 261.369 7
Mid Mid (pH 6-8) 1.49 5.81 -40.61 3 4 1 55 260.361 7

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

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