UCSF

ZINC37829687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.58 7.51 -53.24 0 5 -1 84 245.258 5
Lo Low (pH 4.5-6) 0.58 5.53 -13.82 1 5 0 81 246.266 5

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Rings

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