UCSF

ZINC41681393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.82 3.85 -16.2 2 5 0 76 237.255 6
Hi High (pH 8-9.5) 1.82 4.86 -60.92 1 5 -1 78 236.247 6

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Rings

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