UCSF

ZINC40180699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 3.83 9.94 -11.63 1 6 0 69 420.9 7
Mid Mid (pH 6-8) 3.83 10.46 -36.56 2 6 1 70 421.908 7

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