UCSF

ZINC42458033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 2.30 7.45 -48.5 3 2 1 30 320.251 5
Hi High (pH 8-9.5) 2.30 5.4 -8.71 2 2 0 29 319.243 5

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Rings

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