UCSF

ZINC52039633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 17 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) 2.04 7.15 -39.4 1 4 1 40 238.307 7
Mid Mid (pH 6-8) 2.04 5.17 -8 0 4 0 39 237.299 7

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Rings

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