UCSF

ZINC41903701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 22 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) 1.14 0.69 -13.19 2 7 0 83 303.366 4
Hi High (pH 8-9.5) 1.14 0.78 -42.03 1 7 -1 81 302.358 4
Mid Mid (pH 6-8) 1.14 2.65 -52.35 3 7 1 84 304.374 4

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

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