UCSF

ZINC37113780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 No

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) 2.50 5.13 -42.89 0 7 -1 106 301.344 6
Mid Mid (pH 6-8) 2.50 4.15 -12.88 1 7 0 103 302.352 6

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Rings

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