UCSF

ZINC37082348

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) -0.17 4.82 -41.03 3 3 1 48 221.324 4
Mid Mid (pH 6-8) -0.17 4.49 -7.08 2 3 0 46 220.316 4

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Rings

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