UCSF

ZINC37098522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 Yes

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) 1.21 5.14 -40.65 3 3 1 48 221.324 5
Mid Mid (pH 6-8) 1.21 4.83 -8.15 2 3 0 46 220.316 5

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Rings

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