UCSF

ZINC36126125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.12 6 -44.41 1 4 1 28 254.398 4
Hi High (pH 8-9.5) 1.12 3.54 -7.08 0 4 0 27 253.39 4
Lo Low (pH 4.5-6) 1.12 8.03 -117.67 2 4 2 29 255.406 4

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

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