UCSF

ZINC40192966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 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) 6.40 15.6 -13 1 4 0 47 463.556 7
Lo Low (pH 4.5-6) 6.40 16.15 -39.87 2 4 1 48 464.564 7

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