UCSF

ZINC44825396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 2.52 8.8 -48.04 2 4 1 57 288.415 7
Hi High (pH 8-9.5) 2.70 7.25 -24.59 1 4 0 64 287.407 7

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Rings

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