UCSF

ZINC44721685

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 1.35 3.91 -33.14 3 4 1 46 269.409 7
Hi High (pH 8-9.5) 1.35 1.51 -4.24 2 4 0 45 268.401 7
Lo Low (pH 4.5-6) 1.35 5.16 -109.44 4 4 2 51 270.417 7
Lo Low (pH 4.5-6) 1.35 2.76 -41.24 3 4 1 49 269.409 7

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