UCSF

ZINC37085576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.76 4.04 -41.1 3 4 1 63 258.725 5
Hi High (pH 8-9.5) 2.76 4.79 -28.33 2 4 0 66 257.717 5
Hi High (pH 8-9.5) 2.76 3.56 -38.23 1 4 -1 61 256.709 5
Mid Mid (pH 6-8) 2.76 2.81 -7.16 2 4 0 59 257.717 5

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Rings

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