UCSF

ZINC69795622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 0.40 1.19 -54.09 3 5 1 70 211.289 2
Mid Mid (pH 6-8) 0.40 0.81 -8.13 2 5 0 68 210.281 2
Mid Mid (pH 6-8) 0.40 2.93 -48.39 3 5 1 69 211.289 2
Lo Low (pH 4.5-6) 0.40 3.21 -137.47 4 5 2 71 212.297 2

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

No pre-computed analogs available. Try a structural similarity search.