UCSF

ZINC37102827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.41 2.36 -42.65 4 5 1 83 268.333 7
Hi High (pH 8-9.5) 2.41 1.19 -10.48 3 5 0 79 267.325 7

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Rings

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