UCSF

ZINC55059137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 18 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) 2.62 9.3 -41.45 1 3 1 31 254.325 7
Mid Mid (pH 6-8) 2.62 7.64 -7.09 0 3 0 30 253.317 7

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Rings

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