UCSF

ZINC37817005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.70 5.73 -42.91 3 4 1 61 267.393 6
Hi High (pH 8-9.5) 1.70 5.41 -10.79 2 4 0 59 266.385 6

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Rings

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