UCSF

ZINC31991153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.93 9.58 -17.23 1 5 0 60 354.431 6
Hi High (pH 8-9.5) 4.12 8.52 -48.61 0 5 -1 67 353.423 6

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