UCSF

ZINC37336255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.42 4.87 -41.65 3 4 1 62 252.334 6
Hi High (pH 8-9.5) 2.42 4.14 -53.56 1 4 -1 64 250.318 6
Mid Mid (pH 6-8) 2.42 5.88 -57.69 2 4 0 65 251.326 6
Mid Mid (pH 6-8) 2.42 3.17 -9.48 2 4 0 61 251.326 6

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Rings

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