UCSF

ZINC36136103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) -0.91 2.72 -38.64 4 4 1 68 251.35 6
Hi High (pH 8-9.5) -0.91 2.4 -8.95 3 4 0 67 250.342 6

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Rings

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