UCSF

ZINC00379438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: 2-[(4,6-diamino-2-pyrimidinyl)sulfanyl]-N-(1-naphthyl)acetamide 2-[(4,6-diamino-2-pyrimidinyl)su…

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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) 2.88 -5.52 -13.79 5 6 0 106 325.397 4 ↓
Lo Low (pH 4.5-6) 2.88 -5.13 -110.6 7 6 2 109 327.413 4 ↓
Lo Low (pH 4.5-6) 2.88 -5.32 -34.34 6 6 1 108 326.405 4 ↓

Activity (Go SEA)

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