UCSF

ZINC37333822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) 1.30 2.75 -42.74 3 4 1 62 210.253 4
Hi High (pH 8-9.5) 1.30 1.5 -53.06 1 4 -1 64 208.237 4
Mid Mid (pH 6-8) 1.30 0.49 -9.83 2 4 0 61 209.245 4
Mid Mid (pH 6-8) 1.30 3.76 -58.62 2 4 0 65 209.245 4

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Rings

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