UCSF

ZINC35624729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.97 6.26 -39.71 2 2 1 20 276.231 6
Hi High (pH 8-9.5) 2.97 5.54 -1.62 1 2 0 15 275.223 6
Mid Mid (pH 6-8) 2.97 8.01 -36.8 2 2 1 16 276.231 6
Lo Low (pH 4.5-6) 2.97 8.73 -116.65 3 2 2 21 277.239 6

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Rings

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