UCSF

ZINC36134849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.45 6.11 -43.11 3 3 1 48 235.351 4
Hi High (pH 8-9.5) 1.45 6.06 -7.2 2 3 0 46 234.343 4

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Rings

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