UCSF

ZINC39881747

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 4.08 11.83 -38.05 2 6 1 69 397.458 4
Mid Mid (pH 6-8) 4.08 11.75 -20.75 1 6 0 67 396.45 4

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