UCSF

ZINC37228252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 3.13 6.55 -40.62 2 2 1 20 271.375 7
Hi High (pH 8-9.5) 3.13 5.19 -2.47 1 2 0 15 270.367 7
Mid Mid (pH 6-8) 3.13 8.6 -113.31 3 2 2 21 272.383 7
Mid Mid (pH 6-8) 3.13 7.23 -31.16 2 2 1 16 271.375 7

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Rings

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