UCSF

ZINC05390390

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 19 Yes

Popular Name: Neplanocin A; (-)-Neplanocin A; 3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)- 3-(hydroxymethyl)-, [1S-(1.ALPHA.,2.ALPHA.,5.BETA.)]- Neplanocin A; (-)-Neplanocin A; …

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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) -1.31 -3.08 -15.12 5 8 0 130 263.257 2 ↓
Lo Low (pH 4.5-6) -1.31 -7.2 -34.19 6 8 1 132 264.265 2 ↓
Lo Low (pH 4.5-6) -1.31 -2.82 -33.61 6 8 1 132 264.265 2 ↓

Activity (Go SEA)

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