UCSF

ZINC44679454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.27 5.67 -76.47 4 3 2 33 239.407 5
Hi High (pH 8-9.5) 1.27 3.18 -37.15 3 3 1 32 238.399 5
Lo Low (pH 4.5-6) 1.27 6.79 -174.99 5 3 3 38 240.415 5
Lo Low (pH 4.5-6) 1.27 4.3 -95.19 4 3 2 36 239.407 5

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