UCSF

ZINC37816624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.78 1.56 -43.09 5 5 1 91 286.302 6
Hi High (pH 8-9.5) 0.78 1.24 -15.18 4 5 0 89 285.294 6

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Rings

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